Metabolites
Displaying metabolites 1501 - 1525 of 3755 in total
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB23125 | (Z)-2-Methyl-peroxyaminoacrylate | (2Z)-3-amino-2-methylprop-2-eneperoxoic acid | Pyrimidine metabolism PW000942 | 117.1033 C4H7NO3 |  |
| ECMDB23122 | 1-Deoxy-L-glycero-tetrulose 4-phosphate | (2-hydroxy-3-oxobutoxy)phosphonic acid | Flavin biosynthesis PW001971 | 184.0844 C4H9O6P |  |
| ECMDB23121 | L-3,4-Dihydroxybutan-2-one 4-phosphate | [(2S)-2-hydroxy-3-oxobutoxy]phosphonic acid | 184.0844 C4H9O6P |  | |
| ECMDB23117 | L-methionine (S)-S-oxide 62697-73-8 | (2S)-2-azaniumyl-4-[(S)-methanesulfinyl]butanoate | 165.211 C5H11NO3S |  | |
| ECMDB23116 | L-Methionine (R)-S-oxide | (2S)-2-amino-4-[(R)-methanesulfinyl]butanoic acid | 165.211 C5H11NO3S |  | |
| ECMDB23112 | 2-C-Methyl-D-erythritol 2,4-cyclodiphosphate | (6S,7R)-2,4,7-trihydroxy-6-(hydroxymethyl)-6-methyl-1,3,5,2λ⁵,4λ⁵-trioxadiphosphocane-2,4-dione | 278.0909 C5H12O9P2 |  | |
| ECMDB23110 | 5-Hydroxyisourate | 5-hydroxy-2,3,5,6,7,8-hexahydro-1H-purine-2,6,8-trione | 184.1097 C5H4N4O4 |  | |
| ECMDB23108 | 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate | 4-(carbamoylamino)-5-hydroxy-2-oxo-2,5-dihydro-1H-imidazole-5-carboxylic acid | 202.1249 C5H6N4O5 |  | |
| ECMDB23106 | (S)-1-pyrroline-5-carboxylate | (2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid | 113.1146 C5H7NO2 |  | |
| ECMDB23105 | (Z)-2-Methyl-ureidoacrylate peracid | (2Z)-3-[(C-hydroxycarbonimidoyl)amino]-2-methylprop-2-eneperoxoic acid | Pyrimidine metabolism PW000942 | 160.128 C5H8N2O4 |  |
| ECMDB23102 | S-Carboxymethyl-L-cysteine 2387-59-9 | (2R)-2-amino-3-[(carboxymethyl)sulfanyl]propanoic acid | 179.194 C5H9NO4S |  | |
| ECMDB23100 | 4-Amino-4-deoxy-alpha-L-arabinopyranosyl di-trans,octa-cis-undecaprenyl phosphate | N-[(3S,4S,5R,6S)-4,5-dihydroxy-6-{[hydroxy({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy})phosphoryl]oxy}oxan-3-yl]carboximidic acid | polymyxin resistance PW002052 | 1006.4224 C61H100NO8P |  |
| ECMDB23098 | aquacob(III)alamin | λ²-cobalt(2+) ion 1-[(2S,3R,4S,5R)-3-hydroxy-4-{[hydroxy({[(2R)-1-({1-hydroxy-3-[(1R,3R,4R,8S,13S,14S,18S,19S)-8,13,18-tris[2-(C-hydroxycarbonimidoyl)ethyl]-3,14,19-tris(C-hydroxycarbonimidoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl]propylidene}amino)propan-2-yl]oxy})phosphoryl]oxy}-5-(hydroxymethyl)oxolan-2-yl]-5,6-dimethyl-3H-1λ⁵,3-benzodiazol-1-ylium hydrate | 1350.3869 C62H93CoN13O15P |  | |
| ECMDB23097 | vitamin B12 | cobalt(3+) ion 1-(3-hydroxy-4-{[hydroxy({1-[(1-hydroxy-3-{8,13,18-tris[2-(C-hydroxycarbonimidoyl)ethyl]-3,14,19-tris(C-hydroxycarbonimidoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl}propylidene)amino]propan-2-yl}oxy)phosphoryl]oxy}-5-(hydroxymethyl)oxolan-2-yl)-5,6-dimethyl-3H-1λ⁵,3-benzodiazol-1-ylium | 1329.3478 C62H88CoN13O14P |  | |
| ECMDB23095 | Adenosylcobalamin 5'-phosphate | λ²-cobalt(2+) ion 1-[(2S,3R,4S,5R)-3-hydroxy-4-{[hydroxy({[(2R)-1-({1-hydroxy-3-[(1R,2R,3R,4R,8S,13S,14S,18S,19S)-8,13,18-tris(2-carboximidatoethyl)-3,14,19-tris(C-hydroxycarbonimidoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl]propylidene}amino)propan-2-yl]oxy})phosphoryl]oxy}-5-[(phosphonooxy)methyl]oxolan-2-yl]-5,6-dimethyl-3H-1λ⁵,3-benzodiazol-1-ylium [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl | adenosylcobalamin salvage from cobinamide PW001884 | 1659.5617 C72H101CoN18O20P2 |  |
| ECMDB23094 | N-Acetyl-D-glucosaminyldiphospho-di-trans,octa-cis-undecaprenol | N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-{[hydroxy({[hydroxy({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy})phosphoryl]oxy})phosphoryl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid | 1130.4548 C63H105NO12P2 |  | |
| ECMDB23093 | 2,3-bis(3-Hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate | {[(2R,3R,4R,5S,6R)-5-hydroxy-6-({[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-2-yl]oxy}methyl)-3-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-2-yl]oxy}phosphonic acid | 1325.727 C68H129N2O20P |  | |
| ECMDB23091 | (2-N,3-O-bis(3-Hydroxytetradecanoyl)-4-O-phosphono-beta-D-glucosaminyl)-(1->6)-(2-N,3-O-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl phosphate) | (3R)-3-hydroxy-N-[(2R,3R,4R,5S,6R)-5-hydroxy-6-({[(2R,3R,4R,5S,6R)-3-{[(3R)-3-hydroxy-1-oxidotetradecylidene]amino}-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-5-(phosphonatooxy)oxan-2-yl]oxy}methyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-2-(phosphonooxy)oxan-3-yl]tetradecanecarboximidate | 1401.6752 C68H126N2O23P2 |  | |
| ECMDB23090 | 4-amino-5-phosphonooxymethyl-2-methylpyrimidine | [(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methoxy]phosphonic acid | 219.1351 C6H10N3O4P |  | |
| ECMDB23082 | Iminobutyrate | ethyl 3-aminobut-2-enoate | 129.157 C6H11NO2 |  | |
| ECMDB23081 | 2-Dehydro-3-deoxy-D-galactonate 6-phosphate | (4R,5R)-4,5-dihydroxy-2-oxo-6-(phosphonooxy)hexanoic acid | Galactitol and galactonate degradation PW000820 | 255.096 C6H8O9P |  |
| ECMDB23080 | D-Ala-D-Ala | (2R)-2-[(2R)-2-aminopropanamido]propanoic acid | 160.1711 C6H12N2O3 |  | |
| ECMDB23078 | beta-L-Rhamnose | (2S,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol | fucose and rhamnose degradation PW000826 | 164.1565 C6H12O5 |  |
| ECMDB23077 | L-Rhamnose 3615-41-6 | (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal | 164.1565 C6H12O5 |  | |
| ECMDB23075 | L-Rhamnonate | (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid | 180.1559 C6H12O6 |  |