Below is the list of ligands that CheckMyBlob was trained to recognize. If you do not know the PDB code of the molecule you are interested in, you can consult the monomer names in the ligand dictionary at the bottom of this page. Moving your mouse over a PDB ligand ID shows the ligand's diagram. Clicking on the ligand ID opens the ligand's PDB definition page in separate browser tab.
In total, the server is capable of recognizing 219 ligand groups (classes) covering 1,022 of the most popular residues found in the PDB (~93% of ligand instances in the PDB). Additional 22,915 residues, corresponding to rare ligands, are predicted by CheckMyBlob using a similarity-based algorithm. Since most of these rare ligands appear in the PDB only once, their predictions are less reliable, and they are not listed in the dictionary presented below.
| Class | Ligand IDs | Monomer names |
|---|---|---|
| 13P-like | 13P | 1,3-dihydroxyacetonephosphate |
| PGH | phosphoglycolohydroxamic acid | |
| CYX | (3-formyl-but-3-enyl)-phosphonic acid | |
| 129 | [2(formyl-hydroxy-amino)-ethyl]-phosphonic acid | |
| 1PE-like | 1PE | pentaethylene glycol |
| R16 | hexadecane | |
| 4E6 | (4e,6e)-hexadeca-1,4,6-triene | |
| 2CV | 2CV | hega-10 |
| 2PE | 2PE | nonaethylene glycol |
| 3BV | 3BV | n-{(2s)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide |
| 5GP-like | 5GP | guanosine-5'-monophosphate |
| G | guanosine-5'-monophosphate | |
| XMP | xanthosine-5'-monophosphate | |
| IMU | phosphoric acid mono-[5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-pyrrolidin-2-ylmethyl] ester | |
| N6G | ((2r,3s,4r,5s)-5-(2,6-diamino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate | |
| IG | isoguanosine-5'-monophosphate | |
| GF2 | 2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate) | |
| 50L | [(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-1$l^{4},3,5,7-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | |
| 2MA | 2-methyladenosine-5'-monophosphate | |
| A2G | A2G | n-acetyl-2-deoxy-2-amino-galactose |
| A3P | A3P | adenosine-3'-5'-diphosphate |
| ACO | ACO | acetyl coenzyme *a |
| ACT-like | ACT | acetate ion |
| NO3 | nitrate ion | |
| ACY | acetic acid | |
| IPA | isopropyl alcohol | |
| CO3 | carbonate ion | |
| URE | urea | |
| BCT | bicarbonate ion | |
| GAI | guanidine | |
| ACN | acetone | |
| BO3 | boric acid | |
| ACM | acetamide | |
| MEB | 2-methylprop-1-ene | |
| KEN | n,n-dimethylmethanamine | |
| OUT | carbamic acid | |
| 7BZ | n,n-dimethylboranamine | |
| CFT | trifluoromethane | |
| ACT-like_ZN-like | (ACT, NO3, ACY, IPA, CO3, URE, BCT, GAI, ACN, BO3, ACM, MEB, KEN, OUT, 7BZ, CFT) + (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) | (acetate ion, nitrate ion, acetic acid, isopropyl alcohol, carbonate ion, urea, bicarbonate ion, guanidine, acetone, boric acid, acetamide, 2-methylprop-1-ene, n,n-dimethylmethanamine, carbamic acid, n,n-dimethylboranamine, trifluoromethane) + (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) |
| ADE-like | ADE | adenine |
| HPA | hypoxanthine | |
| 7HP | 7-hydroxy-pyrazolo[4,3-d]pyrimidine | |
| 6MP | 6-methylpurine | |
| 9DA | 9-deazaadenine | |
| 10L | 1h-indazol-7-amine | |
| 9HX | 9-deazahypoxanthine | |
| 7HX | 7h-pyrrolo[2,3-d]pyrimidin-4-ol | |
| PPO | 3h-pyrazolo[4,3-d]pyrimidin-7-ol | |
| 7WA | 1h-benzimidazol-4-amine | |
| 1LX | imidazo[1,2-a]pyridin-5-amine | |
| ADN-like | ADN | adenosine |
| FMC | (1s)-1-(7-amino-1h-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-d-ribitol | |
| NOS | inosine | |
| IMH | 1,4-dideoxy-4-aza-1-(s)-(9-deazahypoxanthin-9-yl)-d-ribitol | |
| TBN | '2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol | |
| FMB | formycin b | |
| AD3 | 3-deaza-adenosine | |
| 5N5 | 5'-amino-5'-deoxyadenosine | |
| UA2 | 3,4-pyrrolidinediol,2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2s,3s,4r,5r | |
| 7CY | (1r,2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol | |
| 9DI | 9-deazainosine | |
| 2AD | 2'-amino-2'-deoxyadenosine | |
| 1DA | 1-deaza-adenosine | |
| HPR | 6-hydroxy-7,8-dihydro purine nucleoside | |
| FWK | (2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol | |
| ADP-like | ADP | adenosine-5'-diphosphate |
| ADX | adenosine-5'-phosphosulfate | |
| AN2 | amp phosphoramidate | |
| A12 | phosphomethylphosphonic acid adenosyl ester | |
| AP2 | phosphomethylphosphonic acid adenosyl ester | |
| AU1 | 5'-o-[(r)-hydroxy(phosphonoamino)phosphoryl]adenosine | |
| 3AN | 3'-deoxy 3'-amino adenosine-5'-diphosphate | |
| M33 | 5'-o-[(s)-hydroxy{[(s)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine | |
| IDP | inosine-5'-diphosphate | |
| 7DD | 7-deazaadenosine-5'-diphosphate | |
| ADP-like_MG-like | (ADP, ADX, AN2, A12, AP2, AU1, 3AN, M33, IDP, 7DD) + (MG, NA, AL) | (adenosine-5'-diphosphate, adenosine-5'-phosphosulfate, amp phosphoramidate, phosphomethylphosphonic acid adenosyl ester, phosphomethylphosphonic acid adenosyl ester, 5'-o-[(r)-hydroxy(phosphonoamino)phosphoryl]adenosine, 3'-deoxy 3'-amino adenosine-5'-diphosphate, 5'-o-[(s)-hydroxy{[(s)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine, inosine-5'-diphosphate, 7-deazaadenosine-5'-diphosphate) + (magnesium ion, sodium ion, aluminum ion) |
| ADP-like_MG-like_MG-like | (ADP, ADX, AN2, A12, AP2, AU1, 3AN, M33, IDP, 7DD) + (MG, NA, AL) + (MG, NA, AL) | (adenosine-5'-diphosphate, adenosine-5'-phosphosulfate, amp phosphoramidate, phosphomethylphosphonic acid adenosyl ester, phosphomethylphosphonic acid adenosyl ester, 5'-o-[(r)-hydroxy(phosphonoamino)phosphoryl]adenosine, 3'-deoxy 3'-amino adenosine-5'-diphosphate, 5'-o-[(s)-hydroxy{[(s)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine, inosine-5'-diphosphate, 7-deazaadenosine-5'-diphosphate) + (magnesium ion, sodium ion, aluminum ion) + (magnesium ion, sodium ion, aluminum ion) |
| AGS | AGS | phosphothiophosphoric acid-adenylate ester |
| AKG-like | AKG | 2-oxoglutaric acid |
| OGA | n-oxalylglycine | |
| 2IT | (2z)-2-iminopentanedioic acid | |
| UAL | (2z)-2-amino-3-(carbamoylamino)prop-2-enoic acid | |
| AKG-like_ZN-like | (AKG, OGA, 2IT, UAL) + (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) | (2-oxoglutaric acid, n-oxalylglycine, (2z)-2-iminopentanedioic acid, (2z)-2-amino-3-(carbamoylamino)prop-2-enoic acid) + (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) |
| ALA-like | ALA | alanine |
| DAL | d-alanine | |
| LAC | lactic acid | |
| 2OP | (2s)-2-hydroxypropanoic acid | |
| HGY | (2s)-amino(hydroxy)ethanoic acid | |
| HBS | s,3-hydroxybutan-2-one | |
| HBR | r,3-hydroxybutan-2-one | |
| B2A | alanine boronic acid | |
| 66N | l-alaninamide | |
| CDE | 1,2-dimethyl-propylamine | |
| ALV | (2s)-2-aminopropane-1,1-diol | |
| 4LT | (2r)-2-fluoropropanoic acid | |
| AMP-like | AMP | adenosine monophosphate |
| IMP | inosinic acid | |
| A | adenosine-5'-monophosphate | |
| FMP | formycin-5'-monophosphate | |
| LMS | [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl sulfamate | |
| 8AN | 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) | |
| IRP | (1s)-1(9-deazahypoxanthin-9yl)1,4-dideoxy-1,4-imino-d-ribitol-5-phosphate | |
| ABM | methyl phosphonic acid adenosine ester | |
| JZU | 5'-deoxy-5'-(sulfamoylamino)adenosine | |
| ND7 | 5'-o-[(s)-amino(hydroxy)phosphoryl]adenosine | |
| 45A | 5'-o-[(s)-hydroxy(methyl)phosphoryl]adenosine | |
| I | inosinic acid | |
| AP7 | n1-protonated adenosine-5'-monophosphate | |
| AF2 | 2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate) | |
| 1DP | n1-deaza-adenosine-5'-monophosphate | |
| APR-like | APR | adenosine-5-diphosphoribose |
| R5I | inosine diphosphate ribose | |
| ARG-like | ARG | arginine |
| CIR | citrulline | |
| GGB | l-canavanine | |
| NPI | (2s)-2-aminoheptanedioic acid | |
| MLY | n-dimethyl-lysine | |
| ILO | n5-iminoethyl-l-ornithine | |
| DHH | (s)-2-amino-7,7-dihydroxyheptanoic acid | |
| ARM | deoxy-methyl-arginine | |
| GND | 2-amino-5-guanidino-pentanoic acid | |
| AAR | arginineamide | |
| 6HN | 6-nitro-l-norleucine | |
| ORQ | n~5~-acetyl-l-ornithine | |
| BOR | (1r)-1-amino-4-{[(e)-amino(imino)methyl]amino}butylboronic acid | |
| AR7 | amino{[(4s)-4-amino-5,5-dihydroxypentyl]amino}methaniminium | |
| ASP-like | ASP | aspartic acid |
| LEU | leucine | |
| LMR | (2s)-2-hydroxybutanedioic acid | |
| ASN | asparagine | |
| UGY | (2s)-amino(carbamoylamino)ethanoic acid | |
| IAS | beta-l-aspartic acid | |
| SUH | (2s)-2-methylbutanedioic acid | |
| XSN | l-alpha-asparagine | |
| UN2 | 2-amino-4,4-dihydroxybutanoic acid | |
| OBF | (2s)-2-amino-4,4-difluorobutanoic acid | |
| NLW | l-leucinamide | |
| NCB | n-carbamoyl-alanine | |
| EO2 | 4,5-dehydro-l-leucine | |
| BLE | leucine boronic acid | |
| AKZ | (3s)-3-amino-4,4-dihydroxybutanoic acid | |
| 7GA | 2,4-dimethylpentanal | |
| 41Q | 4-imino-l-homoserine | |
| 1LU | (2s)-2-hydroxy-4-methyl-pentanoic acid | |
| ATP-like | ATP | adenosine-5'-triphosphate |
| ANP | phosphoaminophosphonic acid-adenylate ester | |
| ACP | phosphomethylphosphonic acid adenylate ester | |
| APC | diphosphomethylphosphonic acid adenosyl ester | |
| ITT | inosine 5'-triphosphate | |
| ZAN | 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine | |
| 7DT | 7-deazaadenosine-5'-triphosphate | |
| ATP-like_CA-like | (ATP, ANP, ACP, APC, ITT, ZAN, 7DT) + (CA, K) | (adenosine-5'-triphosphate, phosphoaminophosphonic acid-adenylate ester, phosphomethylphosphonic acid adenylate ester, diphosphomethylphosphonic acid adenosyl ester, inosine 5'-triphosphate, 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 7-deazaadenosine-5'-triphosphate) + (calcium ion, potassium ion) |
| ATP-like_MG-like | (ATP, ANP, ACP, APC, ITT, ZAN, 7DT) + (MG, NA, AL) | (adenosine-5'-triphosphate, phosphoaminophosphonic acid-adenylate ester, phosphomethylphosphonic acid adenylate ester, diphosphomethylphosphonic acid adenosyl ester, inosine 5'-triphosphate, 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 7-deazaadenosine-5'-triphosphate) + (magnesium ion, sodium ion, aluminum ion) |
| ATP-like_MG-like_MG-like | (ATP, ANP, ACP, APC, ITT, ZAN, 7DT) + (MG, NA, AL) + (MG, NA, AL) | (adenosine-5'-triphosphate, phosphoaminophosphonic acid-adenylate ester, phosphomethylphosphonic acid adenylate ester, diphosphomethylphosphonic acid adenosyl ester, inosine 5'-triphosphate, 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 7-deazaadenosine-5'-triphosphate) + (magnesium ion, sodium ion, aluminum ion) + (magnesium ion, sodium ion, aluminum ion) |
| AZI-like | AZI | azide ion |
| CO2 | carbon dioxide | |
| CCN | acetonitrile | |
| N2O | nitrous oxide | |
| CNN | cyanamide | |
| MNC | methyl isocyanide | |
| 0NM | cyanic acid | |
| 0HQ | diazomethane | |
| B3P | B3P | 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol |
| BCL | BCL | bacteriochlorophyll a |
| BCR | BCR | beta-carotene |
| BEN-like | BEN | benzamidine |
| BEZ | benzoic acid | |
| NCA | nicotinamide | |
| BAM | benzamidine | |
| NIO | nicotinic acid | |
| 6PC | pyridine-2-carboxylic acid | |
| NTN | isonicotinamidine | |
| MRZ | piperidine-1-carboximidamide | |
| UNU | benzamide | |
| NBZ | nitrobenzene | |
| VGL | pyrazine-2-carboxylic acid | |
| PZA | pyrazine-2-carboxamide | |
| PBC | phenyl boronic acid | |
| AC0 | 1-phenylethanone | |
| WM1 | pyridine-2-carboxamide | |
| MN1 | 4-carboxypiperidine | |
| JGD | n,n-dimethylpyridin-4-amine | |
| D86 | [azanyl(piperidin-1-yl)methylidene]azanium | |
| BZP | n1-carboxypiperazine | |
| WM2 | cyclohexanecarboxamide | |
| NYH | 1-nitrocyclohexene | |
| MOR | morpholine-4-carboxylic acid | |
| BGC-like | BGC | beta-d-glucose |
| GCS | d-glucosamine | |
| SHG | 2-deoxy-2-fluoro-beta-d-glucopyranose | |
| G3F | 3-deoxy-3-fluoro-beta-d-glucopyranose | |
| BLA-like | BLA | biliverdine ix alpha |
| BLR | 3-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid | |
| M1V | mesobiliverdin ix(alpha) | |
| 18B | 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid | |
| BMA-like | BMA | beta-d-mannose |
| MFB | beta-l-methyl-fucose | |
| ZWZ | (2r,3r,4r,5r,6s)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol | |
| MBF | 2-deoxy-2-fluoro-beta-d-mannose | |
| FMF | 2-deoxy-2-fluorohexopyranosyl fluoride | |
| BMA-like_NAG_NAG | (BMA, MFB, ZWZ, MBF, FMF) + (NAG) + (NAG) | (beta-d-mannose, beta-l-methyl-fucose, (2r,3r,4r,5r,6s)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol, 2-deoxy-2-fluoro-beta-d-mannose, 2-deoxy-2-fluorohexopyranosyl fluoride) + (n-acetyl-d-glucosamine) + (n-acetyl-d-glucosamine) |
| BME-like | BME | beta-mercaptoethanol |
| DHL | 2-amino-ethanethiol | |
| XL3 | propane-1-thiol | |
| TEE | 2-amino-ethenethiol | |
| MTF | n-methylthioformamide | |
| BMP-like | BMP | 6-hydroxyuridine-5'-phosphate |
| BMQ | 1-(5'-phospho-beta-d-ribofuranosyl)barbituric acid | |
| NUP | 6-aminouridine 5'-monophosphate | |
| U6M | 6-methyluridine 5'-(dihydrogen phosphate) | |
| BNG | BNG | b-nonylglucoside |
| BO2 | BO2 | n-[(1r)-1-(dihydroxyboryl)-3-methylbutyl]-n-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide |
| BOG | BOG | b-octylglucoside |
| BPH | BPH | bacteriopheophytin a |
| BR-like | BR | bromide ion |
| SE | selenium atom | |
| ARS | arsenic | |
| BTB-like | BTB | 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol |
| YES | 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol | |
| BTN-like | BTN | biotin |
| IMI | 2-iminobiotin | |
| C2E | C2E | 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6h-purin-6-one) |
| C8E-like | C8E | (hydroxyethyloxy)tri(ethyloxy)octane |
| 7PE | 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanol | |
| Y69 | 11-[2-(2-ethoxyethoxy)ethoxy]undecanal | |
| CA-like | CA | calcium ion |
| K | potassium ion | |
| CA-like_CA-like | (CA, K) + (CA, K) | (calcium ion, potassium ion) + (calcium ion, potassium ion) |
| CAC-like | CAC | cacodylate ion |
| CAD | cacodylic acid | |
| SE4 | selenate ion | |
| ART | arsenate | |
| 8AR | hydrogen arsenate | |
| CAP_MG-like | (CAP) + (MG, NA, AL) | (2-carboxyarabinitol-1,5-diphosphate) + (magnesium ion, sodium ion, aluminum ion) |
| CD-like | CD | cadmium ion |
| AG | silver ion | |
| MO | molybdenum atom | |
| YT3 | yttrium (iii) ion | |
| RU | ruthenium ion | |
| PD | palladium ion | |
| Y1 | yttrium ion | |
| 4MO | molybdenum(iv) ion | |
| RH3 | rhodium(iii) ion | |
| 6MO | molybdenum(vi) ion | |
| RH | rhodium | |
| ZR | zirconium ion | |
| IN | indium (iii) ion | |
| CDL | CDL | cardiolipin |
| CHD-like | CHD | cholic acid |
| UHH | (3alpha,5alpha,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxychol-1-en-24-amide | |
| CHT-like | CHT | choline ion |
| BTL | betaine aldehyde | |
| TBF | tert-butyl formate | |
| 33D | 3,3-dimethylbutan-1-ol | |
| 2G3 | 3,3-dimethylbutan-1-amine | |
| CIT-like | CIT | citric acid |
| FLC | citrate anion | |
| A33 | 2-(carboxymethyl)-d-aspartic acid | |
| CL-like | CL | chloride ion |
| H2S | hydrosulfuric acid | |
| CL-like_ZN-like | (CL, H2S) + (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) | (chloride ion, hydrosulfuric acid) + (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) |
| CLA-like | CLA | chlorophyll a |
| PHO | pheophytin a | |
| CL7 | chlorophyll d | |
| CLR | CLR | cholesterol |
| CMP-like | CMP | adenosine-3',5'-cyclic-monophosphate |
| 7CH | (2s,4ar,6r,7r,7as)-6-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide | |
| 6SW | inosine-3',5'-cyclic monophosphate | |
| COA | COA | coenzyme a |
| CPS | CPS | 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate |
| CTP-like | CTP | cytidine-5'-triphosphate |
| UTP | uridine 5'-triphosphate | |
| 2KH | 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine | |
| 2TM | 5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine | |
| UNP | 5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine | |
| CSG | 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) | |
| CXS-like | CXS | 3-cyclohexyl-1-propylsulfonic acid |
| IJ6 | 2-[(cyclohexylmethyl)amino]ethanesulfonic acid | |
| D53 | 2-(benzylamino)ethanesulfonic acid | |
| CYC-like | CYC | phycocyanobilin |
| 9UY | 3-[5-[[(3~{r},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid | |
| 2VO | phytochromobilin, bound form | |
| BL8 | 3-[2-[(z)-[5-[(z)-[(3r,4r)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid | |
| 9V1 | 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid | |
| CYS-like | CYS | cysteine |
| CY3 | 2-amino-3-mercapto-propionamide | |
| C22 | 3-chloro-l-alanine | |
| D12-like | D12 | dodecane |
| PG5 | 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane | |
| UNA | undecanal | |
| FWN | 2-[2-(2-ethoxyethoxy)ethoxy]ethanol | |
| HHO | 1-(hydroxymethyleneamino)-8-hydroxy-octane | |
| DCP-like | DCP | 2'-deoxycytidine-5'-triphosphate |
| DUP | 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate | |
| DUT | deoxyuridine-5'-triphosphate | |
| 0KX | 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine | |
| F6G | 6-amino-3-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1h)-one | |
| XC5 | 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine | |
| UPC | 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine | |
| 8CP | 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine | |
| UCP | phosphomethyl phosphonic acid deoxyuridylate ester | |
| DCP-like_MG-like | (DCP, DUP, DUT, 0KX, F6G, XC5, UPC, 8CP, UCP) + (MG, NA, AL) | (2'-deoxycytidine-5'-triphosphate, 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate, deoxyuridine-5'-triphosphate, 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 6-amino-3-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1h)-one, 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine, 2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine, phosphomethyl phosphonic acid deoxyuridylate ester) + (magnesium ion, sodium ion, aluminum ion) |
| DIO-like | DIO | 1,4-diethylene dioxide |
| BNZ | benzene | |
| PYE | tetrahydropyran | |
| 0PY | pyridine | |
| PZE | piperazine | |
| CHX | cyclohexane | |
| B20 | 1,2-dihydro-1,2-azaborinine | |
| P1R | pyrimidine | |
| 6LR | morpholine | |
| PIP | piperidine | |
| DMF-like | DMF | dimethylformamide |
| GLY | glycine | |
| PPI | propanoic acid | |
| AKR | acrylic acid | |
| GOA | glycolic acid | |
| FAH | fluoroacetic acid | |
| GLV | glyoxylic acid | |
| HAE | acetohydroxamic acid | |
| ROP | propionamide | |
| F3V | 1-aminopropan-2-one | |
| MGX | 1-methylguanidine | |
| 4Y8 | 1-hydroxypropan-2-one | |
| F50 | ethaneperoxoic acid | |
| NIE | nitroethane | |
| 5OZ | 2-methylpropanal | |
| FTM | 2-fluoroacetamide | |
| GM1 | aminomethylamide | |
| NHY | n-hydroxyurea | |
| AGU | aminoguanidine | |
| 1HC | prop-2-enamide | |
| NMU | n-methylurea | |
| HVB | 1-azanylpropylideneazanium | |
| HGU | n-hydroxyguanidine | |
| NML | n-methylacetamide | |
| IBN | 2-methylpropan-1-amine | |
| 61G | 2-methylbuta-1,3-diene | |
| 3QD | ethylboronic acid | |
| XZA | diazanecarboxylic acid | |
| RGI | methylcarbamic acid | |
| IRS | 2-methylprop-2-en-1-amine | |
| 000 | methyl hydrogen carbonate | |
| DMS-like | DMS | dimethyl sulfoxide |
| SO3 | sulfite ion | |
| PO3 | phosphite ion | |
| 2PO | phosphonate | |
| PHS | phosphonic acid | |
| VXA | methylphosphonic acid ester group | |
| 78T | oxidanylphosphinate | |
| SFO | sulfonic acid | |
| LCO | chlorate ion | |
| DMU | DMU | decyl-beta-d-maltopyranoside |
| DTT | DTT | 2,3-dihydroxy-1,4-dithiobutane |
| DUR-like | DUR | 2'-deoxyuridine |
| DCZ | 2'-deoxycytidine | |
| THU | tetrahydrodeoxyuridine | |
| EDO-like | EDO | 1,2-ethanediol |
| POL | n-propanol | |
| 3CN | 3-aminopropane | |
| AYE | prop-2-en-1-amine | |
| ETA | ethanolamine | |
| 2ME | methoxyethane | |
| NBU | n-butane | |
| EDN | ethane-1,2-diamine | |
| GXT | ethanedial | |
| NOE | nitrosoethane | |
| ETN | methylethylamine | |
| AEM | 2-aminoethanimidic acid | |
| 5VQ | 2-propen-1-ol | |
| AXO | (1e)-n-hydroxyethanimine | |
| GLZ | amino-acetaldehyde | |
| CBG | propanal | |
| AKK | (1z)-prop-1-en-1-amine | |
| EPE | EPE | 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid |
| F3S | F3S | fe3-s4 cluster |
| F6P | F6P | fructose-6-phosphate |
| FAD-like | FAD | flavin-adenine dinucleotide |
| FDA | dihydroflavine-adenine dinucleotide | |
| FAE | flavin-n7 protonated-adenine dinucleotide | |
| FBP | FBP | beta-fructose-1,6-diphosphate |
| FES-like | FES | fe2/s2 (inorganic) cluster |
| GAK | [2ga-2s] cluster | |
| FMN-like | FMN | flavin mononucleotide |
| FNR | 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2h-benzo[g]pteridin-1-id-10(5h)-yl)-5-o-phosphonato-d-ribitol | |
| 9O9 | 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-5-o-phosphono-d-ribitol | |
| FMT-like | FMT | formic acid |
| EOH | ethanol | |
| NO2 | nitrite ion | |
| ACE | acetyl group | |
| ARF | formamide | |
| DMN | dimethylamine | |
| NEH | ethanamine | |
| TME | propane | |
| 2NO | nitrogen dioxide | |
| NSM | nitrosomethane | |
| HDN | methylhydrazine | |
| 2F2 | dimethyl ether | |
| E1H | ethanimine | |
| FOL-like | FOL | folic acid |
| DHF | dihydrofolic acid | |
| 04J | aminopterin | |
| DZF | 5-deazafolic acid | |
| FUC | FUC | alpha-l-fucose |
| FUC_NAG | (FUC) + (NAG) | (alpha-l-fucose) + (n-acetyl-d-glucosamine) |
| FUC_NAG_NAG | (FUC) + (NAG) + (NAG) | (alpha-l-fucose) + (n-acetyl-d-glucosamine) + (n-acetyl-d-glucosamine) |
| FUL-like | FUL | beta-l-fucose |
| FUF | 2-deoxy-2-fluoro-beta-l-fucopyranose | |
| GAL-like | GAL | beta-d-galactose |
| 2FG | 2-fluoro-2-deoxy-beta-d-galactopyranose | |
| 1GN | 2-deoxy-2-aminogalactose | |
| 2H5 | 3-deoxy-3-fluoro-beta-d-galactopyranose | |
| GAL-like_SIA | (GAL, 2FG, 1GN, 2H5) + (SIA) | (beta-d-galactose, 2-fluoro-2-deoxy-beta-d-galactopyranose, 2-deoxy-2-aminogalactose, 3-deoxy-3-fluoro-beta-d-galactopyranose) + (o-sialic acid) |
| GDP-like | GDP | guanosine-5'-diphosphate |
| GNH | aminophosphonic acid-guanylate ester | |
| GP2 | phosphomethylphosphonic acid guanosyl ester | |
| GDP-like_MG-like | (GDP, GNH, GP2) + (MG, NA, AL) | (guanosine-5'-diphosphate, aminophosphonic acid-guanylate ester, phosphomethylphosphonic acid guanosyl ester) + (magnesium ion, sodium ion, aluminum ion) |
| GLA-like | GLA | alpha d-galactose |
| X6X | 2-amino-2-deoxy-alpha-d-galactopyranose | |
| GAF | 2-deoxy-2-fluoro-alpha-d-galactopyranose | |
| GLC-like | GLC | alpha-d-glucose |
| G2F | 2-deoxy-2-fluoro-alpha-d-glucopyranose | |
| PA1 | 2-amino-2-deoxy-alpha-d-glucopyranose | |
| GLF | 1-fluoro-alpha-1-deoxy-d-glucose | |
| BDG | o-2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose | |
| TOA | 3-deoxy-3-amino glucose | |
| GDA | 4-deoxy-4-amino-beta-d-glucose | |
| GLC-like_GLC-like | (GLC, G2F, PA1, GLF, BDG, TOA, GDA) + (GLC, G2F, PA1, GLF, BDG, TOA, GDA) | (alpha-d-glucose, 2-deoxy-2-fluoro-alpha-d-glucopyranose, 2-amino-2-deoxy-alpha-d-glucopyranose, 1-fluoro-alpha-1-deoxy-d-glucose, o-2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose, 3-deoxy-3-amino glucose, 4-deoxy-4-amino-beta-d-glucose) + (alpha-d-glucose, 2-deoxy-2-fluoro-alpha-d-glucopyranose, 2-amino-2-deoxy-alpha-d-glucopyranose, 1-fluoro-alpha-1-deoxy-d-glucose, o-2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose, 3-deoxy-3-amino glucose, 4-deoxy-4-amino-beta-d-glucose) |
| GLU-like | GLU | glutamic acid |
| GLN | glutamine | |
| 9ON | (2~{s})-2-methylpentanedioic acid | |
| GGL | gamma-l-glutamic acid | |
| ONL | 5-oxo-l-norleucine | |
| OAS | o-acetylserine | |
| S2G | (2s)-2-hydroxypentanedioic acid | |
| GPA | 2-amino-3-guanidino-propionic acid | |
| GLJ | 5,5-dihydroxy-l-norvaline | |
| URQ | (2s)-3-(carbamoylamino)-2-methylpropanoic acid | |
| XFW | (2s)-2,5,5-tris(azanyl)pentanoic acid | |
| MKE | (4s)-4-amino-5-oxohexanoic acid | |
| LV8 | (2~{s})-3-acetamido-2-azanyl-propanoic acid | |
| HLX | 5-methyl-l-norleucine | |
| GMA | 4-amido-4-carbamoyl-butyric acid | |
| GLK | (4s)-4-amino-5,5-dihydroxypentanoic acid | |
| 6E4 | l-glutamamide | |
| GOL-like | GOL | glycerol |
| 2HA | dihydroxyacetone | |
| MEU | o-methyl-glycine | |
| MMU | 1,3-dimethylurea | |
| SEL | 2-amino-1,3-propanediol | |
| D0M | pentan-3-amine | |
| GSH | GSH | glutathione |
| GTP-like | GTP | guanosine-5'-triphosphate |
| GNP | phosphoaminophosphonic acid-guanylate ester | |
| GCP | phosphomethylphosphonic acid guanylate ester | |
| G2P | phosphomethylphosphonic acid guanylate ester | |
| JSQ | 2-fluoro-atp | |
| GTP-like_MG-like | (GTP, GNP, GCP, G2P, JSQ) + (MG, NA, AL) | (guanosine-5'-triphosphate, phosphoaminophosphonic acid-guanylate ester, phosphomethylphosphonic acid guanylate ester, phosphomethylphosphonic acid guanylate ester, 2-fluoro-atp) + (magnesium ion, sodium ion, aluminum ion) |
| GUN-like | GUN | guanine |
| AZA | 8-azaxanthine | |
| XAN | xanthine | |
| 9DG | 9-deazaguanine | |
| 141 | oxypurinol | |
| 6AP | 9h-purine-2,6-diamine | |
| AZG | 5-amino-1h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol | |
| A2F | 2-fluoroadenine | |
| 7DG | 7-deazaguanine | |
| 290 | 6-methyl-3,9-dihydro-2h-purin-2-one | |
| IGA | 6-amino-3,7-dihydro-2h-purin-2-one | |
| H4B-like | H4B | 5,6,7,8-tetrahydrobiopterin |
| H2B | 2-amino-6-(1,2-dihydroxy-propyl)-7,8-dihydro-6h-pteridin-4-one | |
| 4AB | 2,4-diamino-6-[2,3-dihydroxy-prop-3-yl]-5,6,7,8-tetrahydropteridine | |
| H4B-like_HEM-like | (H4B, H2B, 4AB) + (HEM, COH, HNI, ZNH, HEB, MNR, MH0, ISW, HES, CCH) | (5,6,7,8-tetrahydrobiopterin, 2-amino-6-(1,2-dihydroxy-propyl)-7,8-dihydro-6h-pteridin-4-one, 2,4-diamino-6-[2,3-dihydroxy-prop-3-yl]-5,6,7,8-tetrahydropteridine) + (protoporphyrin ix containing fe, protoporphyrin ix containing co, protoporphyrin ix containing ni(ii), protoporphyrin ix containing zn, heme b/c, protoporphyrin ix containing mn, mesoheme, {3,3'-[(9s)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~]dipropanoato(2-)}iron, zinc substituted heme c, [7-ethenyl-12-formyl-3,8,13,17-tertramethyl-21h,23h-porphine-2,18-dipropanoato(2)-n21,n22,n23,n24]iron) |
| HEA | HEA | heme-a |
| HEC-like | HEC | heme c |
| MNH | manganese protoporphyrin ix | |
| HEM-like or OXY-like_HEM-like | () + (HEM, COH, HNI, ZNH, HEB, MNR, MH0, ISW, HES, CCH) | () + (protoporphyrin ix containing fe, protoporphyrin ix containing co, protoporphyrin ix containing ni(ii), protoporphyrin ix containing zn, heme b/c, protoporphyrin ix containing mn, mesoheme, {3,3'-[(9s)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~]dipropanoato(2-)}iron, zinc substituted heme c, [7-ethenyl-12-formyl-3,8,13,17-tertramethyl-21h,23h-porphine-2,18-dipropanoato(2)-n21,n22,n23,n24]iron) |
| HEZ-like | HEZ | hexane-1,6-diol |
| OCT | n-octane | |
| PG0 | 2-(2-methoxyethoxy)ethanol | |
| 16D | hexane-1,6-diamine | |
| 6AH | 6-aminohexan-1-ol | |
| HE4 | heptan-1-ol | |
| DNL | 6-amino-hexanal | |
| HG-like | HG | mercury (ii) ion |
| BA | barium ion | |
| CS | cesium ion | |
| PT | platinum (ii) ion | |
| AU | gold ion | |
| TL | thallium (i) ion | |
| GD | gadolinium atom | |
| YB | ytterbium (iii) ion | |
| W | tungsten ion | |
| TB | terbium(iii) ion | |
| SM | samarium (iii) ion | |
| PB | lead (ii) ion | |
| U1 | uranium atom | |
| OS | osmium ion | |
| PR | praseodymium ion | |
| LA | lanthanum (iii) ion | |
| LU | lutetium (iii) ion | |
| IR | iridium ion | |
| IR3 | iridium (iii) ion | |
| EU | europium ion | |
| RE | rhenium | |
| HO | holmium atom | |
| AU3 | gold 3+ ion | |
| EU3 | europium (iii) ion | |
| GD3 | gadolinium ion | |
| DY | dysprosium ion | |
| PT4 | platinum (iv) ion | |
| ER3 | erbium (iii) ion | |
| TH | thorium ion | |
| CE | cerium (iii) ion | |
| ZCM | curium ion | |
| AM | americium ion | |
| TA0 | tantalum | |
| HO3 | holmium (iii) atom | |
| CF | californium ion | |
| 4PU | plutonium ion | |
| HGN | mercuriomercury | |
| BS3 | bismuth(iii) ion | |
| YB2 | ytterbium (ii) ion | |
| OS4 | osmium 4+ ion | |
| HIS-like | HIS | histidine |
| 83O | (2s)-2-azanyl-3-(4h-1,2,4-triazol-3-yl)propanoic acid | |
| XYC | (2~{s})-2-azanyl-3-cyclopentyl-propanoic acid | |
| HIX | 3-(1h-1,2,3-triazol-5-yl)-l-alanine | |
| HIA | l-histidine amide | |
| 9DQ | (2~{s})-2-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propanoic acid | |
| HOH-like | HOH | water |
| DOD | deuterated water | |
| OH | hydroxide ion | |
| O | oxygen atom | |
| D3O | trideuteriooxidanium | |
| ILE-like | ILE | isoleucine |
| OLT | o-methyl-l-threonine | |
| OIL | (2s,3s)-2-hydroxy-3-methylpentanoic acid | |
| IL0 | (2s,3s)-2-amino-3-methylpentane-1,1-diol | |
| EUP | 4-amino-l-allothreonine | |
| IMD-like | IMD | imidazole |
| VES | pyrrolidine | |
| PZO | pyrazole | |
| TRI | 1,2,4-triazole | |
| HUH | 1~{h}-1,2,3-triazole | |
| FU1 | tetrahydrofuran | |
| IOD-like | IOD | iodide ion |
| TE | tellurium | |
| SB | antimony (iii) ion | |
| IPH-like | IPH | phenol |
| MBN | toluene | |
| HAI | cyclohexylammonium ion | |
| CQG | pyridin-4-ol | |
| ANL | aniline | |
| CYH | cyclohexanone | |
| HVK | pyridin-2-amine | |
| 2AP | 2-aminopyridine | |
| CXL | cyclohexanol | |
| A2Q | cyclohex-2-en-1-one | |
| LGA | pyrimidin-2-amine | |
| L60 | 1,3-diazinan-2-one | |
| HRZ | 1~{h}-pyridin-2-one | |
| V1L | piperidin-2-one | |
| 9PO | pyridine-n-oxide | |
| WOT | phenylazanium | |
| 4AP | 4-aminopyridine | |
| 3MP | 3-methylpyridine | |
| 3AP | 3-aminopyridine | |
| 2IM | piperidin-2-imine | |
| DKG | 4-methylpyridazine | |
| 71O | pyrimidin-2-ol | |
| 71A | pyridin-3-ol | |
| LDA-like | LDA | lauryl dimethylamine-n-oxide |
| CAT | dodecane-trimethylamine | |
| LFA-like | LFA | eicosane |
| P15 | 2,5,8,11,14,17-hexaoxanonadecan-19-ol | |
| 16P | 3,6,9,12,15,18-hexaoxaicosane | |
| LMT | LMT | dodecyl-beta-d-maltoside |
| LYS-like | LYS | lysine |
| LYN | 2,6-diamino-hexanoic acid amide | |
| LDO | 6-hydroxy-l-norleucine | |
| ONH | n~5~-hydroxy-l-ornithine | |
| OLZ | o-(2-aminoethyl)-l-serine | |
| CKC | (3s)-3,7-diaminoheptan-2-one | |
| LYK | (2s)-2,6-diaminohexane-1,1-diol | |
| LYH | 3,4 ene-lysine | |
| BLY | lysine boronic acid | |
| AHP | 2-amino-heptanoic acid | |
| 19W | 5-(aminooxy)-l-norvaline | |
| 01L | [(1r)-1-amino-4-methoxybutyl]boronic acid | |
| MAN-like | MAN | alpha-d-mannose |
| MAF | 2-deoxy-2-fluoro-alpha-d-mannose | |
| M96 | (1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | |
| 95Z | alpha-d-mannosamine | |
| MAN-like_MAN-like | (MAN, MAF, M96, 95Z) + (MAN, MAF, M96, 95Z) | (alpha-d-mannose, 2-deoxy-2-fluoro-alpha-d-mannose, (1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, alpha-d-mannosamine) + (alpha-d-mannose, 2-deoxy-2-fluoro-alpha-d-mannose, (1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, alpha-d-mannosamine) |
| MAN-like_MAN-like_MAN-like | (MAN, MAF, M96, 95Z) + (MAN, MAF, M96, 95Z) + (MAN, MAF, M96, 95Z) | (alpha-d-mannose, 2-deoxy-2-fluoro-alpha-d-mannose, (1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, alpha-d-mannosamine) + (alpha-d-mannose, 2-deoxy-2-fluoro-alpha-d-mannose, (1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, alpha-d-mannosamine) + (alpha-d-mannose, 2-deoxy-2-fluoro-alpha-d-mannose, (1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, alpha-d-mannosamine) |
| MAN-like_NAG | (MAN, MAF, M96, 95Z) + (NAG) | (alpha-d-mannose, 2-deoxy-2-fluoro-alpha-d-mannose, (1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, alpha-d-mannosamine) + (n-acetyl-d-glucosamine) |
| MES | MES | 2-(n-morpholino)-ethanesulfonic acid |
| MET | MET | methionine |
| MG-like | MG | magnesium ion |
| NA | sodium ion | |
| AL | aluminum ion | |
| MG-like_MG-like | (MG, NA, AL) + (MG, NA, AL) | (magnesium ion, sodium ion, aluminum ion) + (magnesium ion, sodium ion, aluminum ion) |
| MG-like_POP-like | (MG, NA, AL) + (POP, PPV, DPO, 2PN, MDN, PSL) | (magnesium ion, sodium ion, aluminum ion) + (pyrophosphate 2-, pyrophosphate, diphosphate, imidodiphosphoric acid, methylenediphosphonic acid, pyrosulfate) |
| MG-like_PYR-like | (MG, NA, AL) + (PYR, OXL, OXM, OXD, NAK, ALQ, PYM, IBO, BUO, NIS, DHA, 5Y9, PYT) | (magnesium ion, sodium ion, aluminum ion) + (pyruvic acid, oxalate ion, oxamic acid, oxalic acid, amino-acrylate, 2-methyl-propionic acid, pyruvamide, 2-methylpropanamide, butane-2,3-dione, 2-nitropropane, 2-amino-acrylic acid, ~{n},~{n}-dimethylethanamide, 2-aminoprop-2-enamide) |
| MG-like_SO4-like | (MG, NA, AL) + (SO4, PO4, 2HP, PI, LCP, GB, 03S, 2PA, FUS, FPO, PNO) | (magnesium ion, sodium ion, aluminum ion) + (sulfate ion, phosphate ion, dihydrogenphosphate ion, hydrogenphosphate ion, perchlorate ion, methylphosphonic acid ester group, methanesulfonic acid, diamidophosphate, sulfuric diamide, fluoro-phosphite ion, p-methyl aminophosphinic acid) |
| MG-like_TPP-like | (MG, NA, AL) + (TPP, TDP, TPW, 8EL, VNP, N3T, N1T, D2X) | (magnesium ion, sodium ion, aluminum ion) + (thiamine diphosphate, thiamin diphosphate, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonoamino)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, 3'-deazo-thiamin diphosphate, 1'-deazo-thiamin diphosphate, 3-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium) |
| MG-like_TTP-like | (MG, NA, AL) + (TTP, 1FZ, TTW, 523, TTE, N6T, C6T, B7P) | (magnesium ion, sodium ion, aluminum ion) + (thymidine-5'-triphosphate, 5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, 5'-o-[hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]thymidine, 2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate), phosphomethyl phosphonic acid deoxythymidylate ester, 2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine, 2'-deoxy-5'-o-[(s)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine, 2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate)) |
| MG-like_ZN-like | (MG, NA, AL) + (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) | (magnesium ion, sodium ion, aluminum ion) + (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) |
| MLI-like | MLI | malonate ion |
| MLA | malonic acid | |
| AAE | acetoacetic acid | |
| C5J | dicarbonimidic diamide | |
| P2D | pentane-2,4-dione | |
| IVA | isovaleric acid | |
| DMG | n,n-dimethylglycine | |
| MLM | 3-amino-3-oxopropanoic acid | |
| MLI-like_ZN-like | (MLI, MLA, AAE, C5J, P2D, IVA, DMG, MLM) + (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) | (malonate ion, malonic acid, acetoacetic acid, dicarbonimidic diamide, pentane-2,4-dione, isovaleric acid, n,n-dimethylglycine, 3-amino-3-oxopropanoic acid) + (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) |
| MLT-like | MLT | d-malate |
| TEO | malate like intermediate | |
| DAS | d-aspartic acid | |
| DLE | d-leucine | |
| UGC | (2s)-(carbamoylamino)(hydroxy)ethanoic acid | |
| NXA | n-carboxyalanine | |
| JO3 | (2r)-2-methylbutanedioic acid | |
| 2RH | (2r)-2-hydroxy-4-methylpentanoic acid | |
| DSG | d-asparagine | |
| AYA | n-acetylalanine | |
| 1VR | (3r)-3-amino-4-methylpentanoic acid | |
| MPD-like | MPD | (4s)-2-methyl-2,4-pentanediol |
| MRD | (4r)-2-methylpentane-2,4-diol | |
| MTA-like | MTA | 5'-deoxy-5'-methylthioadenosine |
| MTI | 3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium | |
| MTH | 2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-tetrahydro-furan-3,4-diol | |
| MTX-like | MTX | methotrexate |
| MT1 | n-(4-{[(2,4-diaminopteridin-1-ium-6-yl)methyl](methyl)amino}benzoyl)-l-glutamic acid | |
| MYR-like | MYR | myristic acid |
| MYZ | myristoleic acid | |
| SSV | (3e,5e,7e,9e,11e,13e)-pentadeca-3,5,7,9,11,13-hexaen-2-one | |
| B0S | tridecylboronic acid | |
| N-like | NH4 | ammonium ion |
| F | fluoride ion | |
| NH2 | amino group | |
| NH3 | ammonia | |
| ND4 | ammonium cation with d | |
| 74C | methyl radical | |
| NAD-like | NAD | nicotinamide-adenine-dinucleotide |
| NAI | 1,4-dihydronicotinamide adenine dinucleotide | |
| DND | nicotinic acid adenine dinucleotide | |
| NAJ | nicotinamide-adenine-dinucleotide (acidic form) | |
| CNA | carba-nicotinamide-adenine-dinucleotide | |
| A3D | 3-acetylpyridine adenine dinucleotide | |
| 6V0 | [[(2~{r},3~{s},4~{r},5~{r})-5-(5-aminocarbonyl-2~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | |
| DQV | [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) | |
| PAD | 5-beta-d-ribofuranosylpicolinamide adenine-dinucleotide | |
| 2NF | [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate | |
| CND | 5-beta-d-ribofuranosylnicotinamide adenine dinucleotide | |
| NHD | nicotinamide purin-6-ol-dinucleotide | |
| NXX | 1-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-3-carboxypyridinium | |
| NAG | NAG | n-acetyl-d-glucosamine |
| NAG_NAG | (NAG) + (NAG) | (n-acetyl-d-glucosamine) + (n-acetyl-d-glucosamine) |
| NAP-like | NAP | nadp nicotinamide-adenine-dinucleotide phosphate |
| NDP | nadph dihydro-nicotinamide-adenine-dinucleotide phosphate | |
| DN4 | [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate | |
| N01 | 3-acetylpyridine adenine dinucleotide | |
| NDO | nicotinamide-(6-deamino-6-hydroxy-adenine)-dinucleotide phosphate | |
| 5J8 | [[(2r,3s,4r,5r)-5-(5-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | |
| NCO | NCO | cobalt hexammine(iii) |
| NDG | NDG | 2-(acetylamino)-2-deoxy-a-d-glucopyranose |
| NHE-like | NHE | 2-[n-cyclohexylamino]ethane sulfonic acid |
| MPO | 3[n-morpholino]propane sulfonic acid | |
| 1PS | 3-pyridinium-1-ylpropane-1-sulfonate | |
| 171 | 2-phenylamino-ethanesulfonic acid | |
| JFM | n-(2-phenylethyl)methanesulfonamide | |
| OCA-like | OCA | octanoic acid (caprylic acid) |
| JRY | hexylcarbamic acid | |
| 011 | 7-aminoheptanoic acid | |
| OTT | (2e,4e,6e)-octa-2,4,6-trienoic acid | |
| NLY | n-(4-aminobutyl)glycine | |
| OLA-like | OLA | oleic acid |
| STE | stearic acid | |
| VCA | vaccenic acid | |
| EIC | linoleic acid | |
| ELA | 9-octadecenoic acid | |
| LNL | alpha-linolenic acid | |
| ODT | (11e,13e,15z)-octadeca-11,13,15-trienoic acid | |
| ELD | (9e)-octadec-9-enamide | |
| OP2 | 2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid | |
| ODD | (10e,12z)-octadeca-10,12-dienoic acid | |
| OLC-like | OLC | (2r)-2,3-dihydroxypropyl (9z)-octadec-9-enoate |
| MVC | monovaccenin | |
| ORO-like | ORO | orotic acid |
| D1X | 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid | |
| OXC | oxonic acid | |
| AW5 | 3-methyl-5-oxidanyl-benzoic acid | |
| 34D | 3,5-dihydroxybenzoate | |
| OXY-like | OXY | oxygen molecule |
| CMO | carbon monoxide | |
| MOH | methanol | |
| CYN | cyanide ion | |
| NO | nitric oxide | |
| PEO | hydrogen peroxide | |
| PER | peroxide ion | |
| FOR | formyl group | |
| HOA | hydroxyamine | |
| HDZ | nitrogen molecule | |
| NME | methylamine | |
| C2H | acetylene | |
| 3P8 | methylammonium ion | |
| HZN | hydrazine | |
| CF0 | fluoromethane | |
| 2FK | superoxo ion | |
| P33-like | P33 | 3,6,9,12,15,18-hexaoxaicosane-1,20-diol |
| P4C | o-acetaldehydyl-hexaethylene glycol | |
| TWT | docosane | |
| P6G-like | P6G | hexaethylene glycol |
| OCD | octadecanal | |
| PE4-like | PE4 | 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol |
| N8E | 3,6,9,12,15-pentaoxatricosan-1-ol | |
| PEB | PEB | phycoerythrobilin |
| PEG-like | PEG | di(hydroxyethyl)ether |
| HP6 | heptane | |
| PTD | pentanedial | |
| N2P | pentane-1,5-diamine | |
| 1KA | (2-hydroxyethoxy)acetaldehyde | |
| 9JE | pentane-1,5-diol | |
| HE2 | hexan-1-ol | |
| GAQ | 5-hydroxypentanal | |
| YIV | n-butylformamide | |
| ARN | 1-imino-5-pentanone | |
| 01H | 4-hydrazinylbutan-1-amine | |
| PEK | PEK | (1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(stearoyloxy)methyl]ethyl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate |
| PEP-like | PEP | phosphoenolpyruvate |
| SPV | sulfopyruvate | |
| GZ3 | (e)-2-methyl-3-phosphonoacrylate | |
| PPR | phosphonopyruvate | |
| PG4-like | PG4 | tetraethylene glycol |
| TRD | tridecane | |
| SPE | thermine | |
| 1DO | 1-dodecanol | |
| PGF | 2,5,8,11-tetraoxatridecane | |
| DFD | decyl formate | |
| PAW | n-(2-aminoethyl)-n'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine | |
| DEM | decyloxy-methanol | |
| PGE-like | PGE | triethylene glycol |
| SPD | spermidine | |
| D10 | decane | |
| F09 | nonan-1-ol | |
| ME2 | 1-ethoxy-2-(2-methoxyethoxy)ethane | |
| DIA | octane 1,8-diamine | |
| HPL | heptylformamide | |
| AOP | pentyloxyamino-acetaldehyde | |
| 104 | n,n'-bis(2-aminoethyl)-1,2-ethanediamine | |
| SR0 | n~1~-(3-azaniumylpropyl)butane-1,4-diaminium | |
| ODI | octane-1,8-diol | |
| PGO-like | PGO | s-1,2-propanediol |
| PGR | r-1,2-propanediol | |
| SBT | 2-butanol | |
| 2A1 | (2s)-2-aminopropan-1-ol | |
| 2A3 | (2r)-2-aminopropan-1-ol | |
| FOP | 2-hydroxy-propyl-ammonium | |
| 5XU | (2~{s})-2-azanylpropanal | |
| PGV-like | PGV | (1r)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (11e)-octadec-11-enoate |
| PGW | (1r)-2-{[(s)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate | |
| PHB-like | PHB | p-hydroxybenzoic acid |
| NPO | p-nitrophenol | |
| PBZ | p-amino benzamidine | |
| PAB | 4-aminobenzoic acid | |
| OA7 | 6-hydroxypyridine-3-carboxylic acid | |
| AC6 | p-hydroxyacetophenone | |
| HBD | 4-hydroxybenzamide | |
| MML | 1-methyl-4-(1-methylethyl)benzene | |
| 4MA | 4-methylbenzoic acid | |
| 8EJ | 6-methylpyridine-3-carboxamide | |
| 46W | 4-methylpiperidine-1-carboximidamide | |
| 1Y6 | 4-fluorobenzoic acid | |
| H3Z | 4-propan-2-ylphenol | |
| 4FG | 6-aminopyridine-3-carboxamide | |
| ODS | 4-methylpiperazine-1-carboxylic acid | |
| NIT | 4-nitroaniline | |
| MRM | 4-aminopiperidine-1-carboxylic acid | |
| ISO | para-isopropylaniline | |
| PHE-like | PHE | phenylalanine |
| NFA | phenylalanine amide | |
| HFA | alpha-hydroxy-beta-phenyl-propionic acid | |
| HPH | (2s)-2-amino-3-phenylpropane-1,1-diol | |
| 4WC | (s)-cyclohexyl lactic acid | |
| B2F | phenylalanine boronic acid | |
| ALC | 2-amino-3-cyclohexyl-propionic acid | |
| 1MH | 3-pyridin-3-yl-l-alanine | |
| PLC | PLC | diundecyl phosphatidyl choline |
| PLM-like | PLM | palmitic acid |
| PAM | palmitoleic acid | |
| 3V3 | 1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid | |
| PLP-like | PLP | pyridoxal-5'-phosphate |
| PMP | 4'-deoxy-4'-aminopyridoxal-5'-phosphate | |
| PXP | pyridoxine-5'-phosphate | |
| 5B0 | {2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid | |
| PZP | [5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate | |
| 2B0 | [2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl]phosphonic acid | |
| POP-like | POP | pyrophosphate 2- |
| PPV | pyrophosphate | |
| DPO | diphosphate | |
| 2PN | imidodiphosphoric acid | |
| MDN | methylenediphosphonic acid | |
| PSL | pyrosulfate | |
| PRO-like | PRO | proline |
| TFB | tetrahydrofuran-2-carboxylic acid | |
| LPD | l-prolinamide | |
| DPR | d-proline | |
| PR9 | d-prolinamide | |
| C54 | (1r)-cyclopent-2-ene-1-carboxylic acid | |
| 8LJ | (2s)-2,3-dihydro-1h-pyrrole-2-carboxylic acid | |
| 04V | (2s)-pyrrolidine-2-carboximidic acid | |
| PUT-like | PUT | 1,4-diaminobutane |
| BU1 | 1,4-butanediol | |
| HEX | hexane | |
| ETX | 2-ethoxyethanol | |
| DXE | 1,2-dimethoxyethane | |
| BXO | (1z)-butanal oxime | |
| 2FU | but-2-enedial | |
| AML | amylamine | |
| XAP | 3-aminooxy-1-aminopropane | |
| PTL | pentanal | |
| 4HA | 4-hydroxybutan-1-aminium | |
| PE9 | pentan-1-ol | |
| N3D | n-methylpropane-1,3-diamine | |
| PX4-like | PX4 | 1,2-dimyristoyl-sn-glycero-3-phosphocholine |
| MC3 | 1,2-dimyristoyl-rac-glycero-3-phosphocholine | |
| PYR-like | PYR | pyruvic acid |
| OXL | oxalate ion | |
| OXM | oxamic acid | |
| OXD | oxalic acid | |
| NAK | amino-acrylate | |
| ALQ | 2-methyl-propionic acid | |
| PYM | pyruvamide | |
| IBO | 2-methylpropanamide | |
| BUO | butane-2,3-dione | |
| NIS | 2-nitropropane | |
| DHA | 2-amino-acrylic acid | |
| 5Y9 | ~{n},~{n}-dimethylethanamide | |
| PYT | 2-aminoprop-2-enamide | |
| RARE_LIGAND | () + () | () + () |
| RET-like | RET | retinal |
| RTL | retinol | |
| RNE | (2~{e},4~{e},6~{e},8~{e})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine | |
| SAH-like | SAH | s-adenosyl-l-homocysteine |
| SAO | 5'-s-[(3s)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine | |
| SIB | (2s)-2-amino-4-({[(2s,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9h-purin-9-yl)tetrahydrofuran-2-yl]methyl}thio)butanoic acid | |
| SAM | SAM | s-adenosylmethionine |
| SCN | SCN | thiocyanate ion |
| SER-like | SER | serine |
| UNK | unknown | |
| BIB | beta-amino isobutyrate | |
| ABA | alpha-aminobutyric acid | |
| SMB | 2-methylbutanoic acid | |
| NBT | (2s)-2-nitrobutane | |
| LVG | l-vinylglycine | |
| HUI | (2s)-2-methyl-3-oxidanyl-propanoic acid | |
| DPP | diaminopropanoic acid | |
| DE2 | 1-deoxy-l-erythrulose | |
| SET | aminoserine | |
| DNP | 3-amino-alanine | |
| 62H | (2s)-3-amino-2-methylpropanoic acid | |
| 33X | n-methyl-d-alanine | |
| SF4-like | SF4 | iron/sulfur cluster |
| WCC | fe(3)-ni(1)-s(4) cluster | |
| SFG | SFG | sinefungin |
| SIA | SIA | o-sialic acid |
| SIN-like | SIN | succinic acid |
| FUM | fumaric acid | |
| MAE | maleic acid | |
| NMG | guanidino acetate | |
| SHF | laevulinic acid | |
| 4MV | 4-methyl valeric acid | |
| 9U3 | n,n,n',n'-tetramethylethane-1,2-diamine | |
| 3NP | 3-nitropropanoic acid | |
| AAC | acetylamino-acetic acid | |
| IPG | n-isopropyl glycine | |
| IBU | 2-methylpropyl hydrogen carbonate | |
| SO4-like | SO4 | sulfate ion |
| PO4 | phosphate ion | |
| 2HP | dihydrogenphosphate ion | |
| PI | hydrogenphosphate ion | |
| LCP | perchlorate ion | |
| GB | methylphosphonic acid ester group | |
| 03S | methanesulfonic acid | |
| 2PA | diamidophosphate | |
| FUS | sulfuric diamide | |
| FPO | fluoro-phosphite ion | |
| PNO | p-methyl aminophosphinic acid | |
| SO4-like_SO4-like | (SO4, PO4, 2HP, PI, LCP, GB, 03S, 2PA, FUS, FPO, PNO) + (SO4, PO4, 2HP, PI, LCP, GB, 03S, 2PA, FUS, FPO, PNO) | (sulfate ion, phosphate ion, dihydrogenphosphate ion, hydrogenphosphate ion, perchlorate ion, methylphosphonic acid ester group, methanesulfonic acid, diamidophosphate, sulfuric diamide, fluoro-phosphite ion, p-methyl aminophosphinic acid) + (sulfate ion, phosphate ion, dihydrogenphosphate ion, hydrogenphosphate ion, perchlorate ion, methylphosphonic acid ester group, methanesulfonic acid, diamidophosphate, sulfuric diamide, fluoro-phosphite ion, p-methyl aminophosphinic acid) |
| SO4-like_ZN-like | (SO4, PO4, 2HP, PI, LCP, GB, 03S, 2PA, FUS, FPO, PNO) + (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) | (sulfate ion, phosphate ion, dihydrogenphosphate ion, hydrogenphosphate ion, perchlorate ion, methylphosphonic acid ester group, methanesulfonic acid, diamidophosphate, sulfuric diamide, fluoro-phosphite ion, p-methyl aminophosphinic acid) + (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) |
| SO4-like_ZN-like_ZN-like | (SO4, PO4, 2HP, PI, LCP, GB, 03S, 2PA, FUS, FPO, PNO) + (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) + (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) | (sulfate ion, phosphate ion, dihydrogenphosphate ion, hydrogenphosphate ion, perchlorate ion, methylphosphonic acid ester group, methanesulfonic acid, diamidophosphate, sulfuric diamide, fluoro-phosphite ion, p-methyl aminophosphinic acid) + (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) + (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) |
| SPM-like | SPM | spermine |
| ETE | 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol | |
| C14 | tetradecane | |
| SPK | spermine (fully protonated form) | |
| TER | n-(3-amino-propyl)-n-(5-aminopropyl)-1,4-diaminobutane | |
| 298 | n-[(1e,2z)-but-2-en-1-ylidene]-n'-[(2e)-but-2-en-1-ylidene]butane-1,4-diamine | |
| 297 | dodecane-1,12-diamine | |
| B33 | n-ethyl-n-[3-(propylamino)propyl]propane-1,3-diamine | |
| SR-like | SR | strontium ion |
| RB | rubidium ion | |
| STU-like | STU | staurosporine |
| 4ST | 1,2,3,4-tetrahydrogen-staurosporine | |
| ITQ | 1,2,3,4-tetrahydrogen staurosporine | |
| TAR-like | TAR | d(-)-tartaric acid |
| 2AS | (2s,3s)-3-methyl-aspartic acid | |
| AHB | beta-hydroxyasparagine | |
| HL2 | (2s,3r)-2-amino-3-hydroxy-4-methylpentanoic acid | |
| BHD | (3s)-3-hydroxy-l-aspartic acid | |
| TGL | TGL | tristearoylglycerol |
| THM-like | THM | thymidine |
| 0DN | 5'-deoxy-5'-fluorothymidine | |
| MCY | 5-methyl-2'-deoxycytidine | |
| 5MD | 2'-deoxy-1-methyl-pseudouridine | |
| B86 | 2'-deoxy-5-fluorocytidine | |
| 5AT | 5'-amino-5'-deoxythymidine | |
| THP | THP | thymidine-3',5'-diphosphate |
| THR-like | THR | threonine |
| ALO | allo-threonine | |
| VLL | (2s)-2,3-diaminobutanoic acid | |
| 9AT | (2s,3r)-2-amino-3-hydroxy-butanamide | |
| TLA | TLA | l(+)-tartaric acid |
| TMP-like | TMP | thymidine-5'-phosphate |
| UFP | 5-fluoro-2'-deoxyuridine-5'-monophosphate | |
| DT | thymidine-5'-monophosphate | |
| FDM | 3'-fluoro-3'-deoxythymidine monophosphate | |
| NYM | 3'-deoxy-3'-aminothymidine monophosphate | |
| OHU | 2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate) | |
| JSP | (1r)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol | |
| IMC | n1-[2-deoxy-ribofuranosyl]-[2-amino-5-methyl-4-oxo-4h-pyrimidine]-5'-monophosphate | |
| DFT | 1-[2-deoxyribofuranosyl]-2,4-difluoro-5-methyl-benzene-5'monophosphate | |
| C37 | 5-fluoro-2'-deoxy-cytidine-5'-monophosphate | |
| 5OC | 2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate) | |
| 5CM | 5-methyl-2'-deoxy-cytidine-5'-monophosphate | |
| TRP-like | TRP | tryptophan |
| LTN | l-tryptophanamide | |
| 3IL | 3-(indol-3-yl) lactate | |
| TRN | nz2-tryptophan | |
| 4AW | 4-azatryptophan | |
| TRS-like | TRS | 2-amino-2-hydroxymethyl-propane-1,3-diol |
| 144 | tris-hydroxymethyl-methyl-ammonium | |
| TYD | TYD | thymidine-5'-diphosphate |
| TYR-like | TYR | tyrosine |
| TYC | l-tyrosinamide | |
| TYF | (2s)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid | |
| PFF | 4-fluoro-l-phenylalanine | |
| TYW | (2s)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol | |
| HOX | 4-amino-l-phenylalanine | |
| 4PH | 4-methyl-l-phenylalanine | |
| U5P-like | U5P | uridine-5'-monophosphate |
| C5P | cytidine-5'-monophosphate | |
| U | uridine-5'-monophosphate | |
| UP6 | 6-aza uridine 5'-monophosphate | |
| C | cytidine-5'-monophosphate | |
| H2U | 5,6-dihydrouridine-5'-monophosphate | |
| CH | n3-protonated cytidine-5'-monophosphate | |
| UFT | 2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate) | |
| PSU | pseudouridine-5'-monophosphate | |
| 3DU | 4-hydroxy-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-2(1h)-one | |
| RY | 5'-3,6-dihydrocytidylic acid | |
| IC | isocytidine-5'-monophosphate | |
| CFZ | 2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate) | |
| A5M | 2'-amine-cytidine-5'-monophosphate | |
| 2AU | 2'-aminouridine | |
| UDP-like | UDP | uridine-5'-diphosphate |
| CDP | cytidine-5'-diphosphate | |
| 44P | 5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine | |
| UMP-like | UMP | 2'-deoxyuridine 5'-monophosphate |
| DC | 2'-deoxycytidine-5'-monophosphate | |
| DCM | 2'-deoxycytidine-5'-monophosphate | |
| DU | 2'-deoxyuridine-5'-monophosphate | |
| UMC | 2'-deoxy-5'-uridylic acid | |
| DUS | 2'-deoxy-5'-o-sulfouridine | |
| P2U | 2'-deoxy-pseudouridine-5'monophosphate | |
| DNR | 2'-deoxy-n3-protonated cytidine-5'-monophosphate | |
| CMR | 2'-deoxy-cytidine-5'-rp-monomethylphosphonate | |
| C42 | 3'-amino-2'-deoxy-cytidine-5'-monophosphate | |
| 93D | (1r)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-o-phosphono-d-erythro-pentitol | |
| 8YN | pseudoisocytidine | |
| 5NC | 5-aza-cytidine-5'monophosphate | |
| UPG-like | UPG | uridine-5'-diphosphate-glucose |
| U2F | uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-d-glucose | |
| UFG | uridine-5'-diphosphate-4-deoxy-4-fluoro-alpha-d-galactose | |
| 660 | [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid | |
| C5G | [cytidine-5'-phosphate]-beta-glucosyl-phosphoric acid ester | |
| URA-like | URA | uracil |
| RCO | resorcinol | |
| CRS | m-cresol | |
| CYT | 6-aminopyrimidin-2(1h)-one | |
| DUC | dihydropyrimidine-2,4(1h,3h)-dione | |
| LG3 | pyrimidine-2,4-diamine | |
| 5AZ | 6-amino-1,3,5-triazin-2(1h)-one | |
| BVF | 4-methylpyridin-2-amine | |
| 9UZ | piperidine-2,6-dione | |
| 26D | pyridine-2,6-diamine | |
| LG5 | 1-methyl-1,6-dihydropyridin-3-amine | |
| K5V | 3-aminophenol | |
| 71M | 6-methylpyridin-2-amine | |
| ZZS | 1,3,5-triazine-2,4-diamine | |
| CQJ | 4-methylpyridin-2-ol | |
| 8VH | 1,3-dimethylbenzene | |
| 8GF | 2-methylpyrimidin-4-amine | |
| URF-like | URF | 5-fluorouracil |
| TDR | thymine | |
| 3N8 | 4-fluorobenzene-1,2-diol | |
| MCT | 4-methylcatechol | |
| 1LD | 5-fluorocytosine | |
| 17E | 5-methylcytosine | |
| XYD | 2,5-dimethylaniline | |
| PYD | 2,5-dimethyl-pyrimidin-4-ylamine | |
| ICP | 2-methyl-5-methylene-5h-pyrimidin-4-ylideneamine | |
| A1U | 3,5-dimethylpyrazin-2-ol | |
| 7DV | 2-methylbenzene-1,4-diol | |
| WBU | 5-amino-1h-pyrimidine-2,4-dione | |
| 2MP | 3,4-dimethylphenol | |
| XBZ | 1,2,4-trimethylbenzene | |
| N0D | 2,4-dimethylphenol | |
| MWM | 4-fluoro-2-methylphenol | |
| 51S | 2,4-dimethylaniline | |
| 4ZE | 4-amino-2-methylphenol | |
| HQN | benzene-1,2,4-triol | |
| 9AY | 4-methylbenzene-1,2-diamine | |
| 4HO | 1-hydroxy-4-methylpyridin-2(1h)-one | |
| 34A | 3,4-dimethylaniline | |
| 2AC | 2-amino-p-cresol | |
| 275 | 5-amino-1,2-dimethylpyridinium | |
| 1MC | 1-methylcytosine | |
| URI-like | URI | uridine |
| CTN | 4-amino-1-beta-d-ribofuranosyl-2(1h)-pyrimidinone | |
| URD | 1-((2r,3r,4s,5r)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyridine-2,4(1h,3h)-dione | |
| CTD | 3-deazacytidine | |
| 5AE | 4-amino-1-(beta-d-ribofuranosyl)-1,3,5-triazin-2(1h)-one | |
| XE | XE | xenon |
| XYP-like | XYP | beta-d-xylopyranose |
| BXF | 2-deoxy-2-fluoro-beta-d-xylopyranose | |
| XYS-like | XYS | xylopyranose |
| ARA | alpha-l-arabinose | |
| X2F | 2-deoxy-2-fluoro xylopyranose | |
| ZN-like | ZN | zinc ion |
| MN | manganese (ii) ion | |
| CU | copper (ii) ion | |
| FE | fe (iii) ion | |
| NI | nickel (ii) ion | |
| FE2 | fe (ii) ion | |
| CO | cobalt (ii) ion | |
| CU1 | copper (i) ion | |
| MN3 | manganese (iii) ion | |
| 3CO | cobalt (iii) ion | |
| 3NI | nickel (iii) ion | |
| CR | chromium ion | |
| GA | gallium (iii) ion | |
| 4TI | titanium ion | |
| V | vanadium ion | |
| CU3 | copper (iii) ion | |
| ZN-like_AKG-like | (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) + (AKG, OGA, 2IT, UAL) | (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) + (2-oxoglutaric acid, n-oxalylglycine, (2z)-2-iminopentanedioic acid, (2z)-2-amino-3-(carbamoylamino)prop-2-enoic acid) |
| ZN-like_SO4-like | (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) + (SO4, PO4, 2HP, PI, LCP, GB, 03S, 2PA, FUS, FPO, PNO) | (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) + (sulfate ion, phosphate ion, dihydrogenphosphate ion, hydrogenphosphate ion, perchlorate ion, methylphosphonic acid ester group, methanesulfonic acid, diamidophosphate, sulfuric diamide, fluoro-phosphite ion, p-methyl aminophosphinic acid) |
| ZN-like_UDP-like | (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) + (UDP, CDP, 44P) | (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) + (uridine-5'-diphosphate, cytidine-5'-diphosphate, 5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine) |
| ZN-like_ZN-like | (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) + (ZN, MN, CU, FE, NI, FE2, CO, CU1, MN3, 3CO, 3NI, CR, GA, 4TI, V, CU3) | (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) + (zinc ion, manganese (ii) ion, copper (ii) ion, fe (iii) ion, nickel (ii) ion, fe (ii) ion, cobalt (ii) ion, copper (i) ion, manganese (iii) ion, cobalt (iii) ion, nickel (iii) ion, chromium ion, gallium (iii) ion, titanium ion, vanadium ion, copper (iii) ion) |