Metabolites
Displaying metabolites 226 - 250 of 3755 in total
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB20187 | S-(2-Chloroacetyl)glutathione 113668-38-5 | (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-chloroacetyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid | 383.805 C12H18ClN3O7S |  | |
| ECMDB20188 | S-(2,2-Dichloro-1-hydroxy)ethyl glutathione | (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,2-dichloro-1-hydroxyethyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid | 420.266 C12H19Cl2N3O7S |  | |
| ECMDB20186 | S-(1,2-Dichlorovinyl)glutathione 96614-59-4 | (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(E)-1,2-dichloroethenyl]sulfanyl}ethyl]-C-hydroxycarbonimidoyl}butanoic acid | 402.251 C12H17Cl2N3O6S |  | |
| ECMDB21389 | Ribothymidine 1463-10-1 | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione | 258.228 C10H14N2O6 |  | |
| ECMDB04147 | Ribose-1-phosphate 14075-00-4 | {[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}phosphonic acid | 230.1098 C5H11O8P |  | |
| ECMDB24139 | Ribose-1-arsenate | {[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}arsonic acid | 274.0576 C5H11AsO8 |  | |
| ECMDB11688 | Ribose 1,5-bisphosphate 14689-84-0 | {[(3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy}phosphonic acid | 310.0897 C5H12O11P2 |  | |
| ECMDB00283 | Ribose 50-69-1 | (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol | 150.1299 C5H10O5 |  | |
| ECMDB23866 | Ribonucleoside | Pyrimidine metabolism PW000942 | (C10H12N5O6P)nC20H25N10O10P |  | |
| ECMDB00244 | Riboflavin 83-88-5 | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione | Flavin biosynthesis PW001971 | 376.3639 C17H20N4O6 |  |
| ECMDB21421 | Ribitol 488-81-3 | (2R,3s,4S)-pentane-1,2,3,4,5-pentol | 152.1458 C5H12O5 |  | |
| ECMDB21353 | Rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate | N-(5-hydroxy-2-{[hydroxy({[(2E,6E,10E,14E,18E,22E,26E,30E,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 phosphonato]oxy})phosphoryl]oxy}-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)ethanecarboximidate | 1274.5801 C69H113NO16P2 |  | |
| ECMDB21660 | Retinol 68-26-8 | (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol | 286.4516 C20H30O |  | |
| ECMDB21659 | Retinal 116-31-4 | (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal | 284.4357 C20H28O |  | |
| ECMDB21279 | Reduced riboflavin | 10-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione | 348.3107 C15H16N4O6 |  | |
| ECMDB21090 | Ra-LPS | (2R,3S,4R,5R,6R)-5-{[(3S,4R,5R,6R)-5-[({[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]-4-{[(3S,4S,5R,6R)-4-{[(3R,4S,5R,6R)-4-{[(2R,3R,4S,5R,6R)-3-{[(3R,4S,5S,6R)-3-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(C-hydroxycarbonimidoyl)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-6-[(2S)-1-{[(3S,4R,5S,6R)-3,4-dihydroxy-6-[(2S)-1-hydroxypropan-2-yl]-5-(phosphonooxy)oxan-2-yl]oxy}propan-2-yl]-3,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-6-[(2S)-1-hydroxypropan-2-yl]oxan-2-yl]oxy}-4-{[(2S,3S,4S,5R,6R)-4-{[(2S,3S,4S,5R,6R)-4-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-carboxy-3,5-dihydroxy-6-[(2S)-1-hydroxypropan-2-yl]oxan-2-yl]oxy}-2-carboxy-3,5-dihydroxy-6-[(2S)-1-hydroxypropan-2-yl]oxan-2-yl]oxy}-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-5-{[(3R)-1,3-dihydroxytetradecylidene]amino}-3-hydroxy-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[(3R)-3-(dodecanoyloxy)-1-hydroxytetradecylidene]amino}-3-(phosphonooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}-3-hydroxy-6-[(2S)-1-hydroxypropan-2-yl]oxane-2-carboxylic acid | Lipopolysaccharide biosynthesis PW000831 | 4330.3543 C180H328N6O98P6 |  |
| ECMDB02255 | R-Methylmalonyl-CoA 73173-92-9 | (2R)-3-({2-[(3-{[(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-2-methyl-3-oxopropanoic acid | 867.607 C25H40N7O19P3S |  | |
| ECMDB23060 | Quinone 106-51-4 | cyclohexa-2,5-diene-1,4-dione | TCA cycle PW000779 More...TCA cycle (ubiquinol-10) PW001010 TCA cycle (ubiquinol-2) PW001002 TCA cycle (ubiquinol-3) PW001003 TCA cycle (ubiquinol-4) PW001004 TCA cycle (ubiquinol-5) PW001005 TCA cycle (ubiquinol-6) PW001006 TCA cycle (ubiquinol-7) PW001007 TCA cycle (ubiquinol-8) PW001008 TCA cycle (ubiquinol-9) PW001009 TCA cycle (ubiquinol-0) PW002023 | 108.0948 C6H4O2 |  |
| ECMDB00232 | Quinolinic acid 89-00-9 | pyridine-2,3-dicarboxylic acid | 167.1189 C7H5NO4 |  | |
| ECMDB21278 | Quinate 17230-85-2 | (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid | Chorismate biosynthesis PW000816 | 192.1666 C7H12O6 |  |
| ECMDB01495 | Queuine 72496-59-4 | (1R,2S,5S)-5-[({4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}methyl)amino]cyclopent-3-ene-1,2-diol | preQ0 metabolism PW001893 | 277.2792 C12H15N5O3 |  |
| ECMDB23201 | Quercetin 117-39-5 | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one | 302.2357 C15H10O7 |  | |
| ECMDB00243 | Pyruvic acid 127-17-3 | 2-oxopropanoic acid | Lysine biosynthesis PW000771 More...Folate biosynthesis PW000908 Pantothenate and CoA biosynthesis PW000828 Sulfur metabolism PW000922 Tryptophan metabolism PW000815 D-Alanine metabolism PW000768 Propanoate metabolism PW000940 Biosynthesis of siderophore group nonribosomal peptides PW000760 2,3-dihydroxybenzoate biosynthesis PW000751 2-Oxopent-4-enoate metabolism PW001890 Galactitol and galactonate degradation PW000820 Gluconeogenesis from L-malic acid PW000819 L-alanine metabolism PW000788 Menaquinol biosythesis PW001897 S-adenosyl-L-methionine biosynthesis PW000837 Secondary Metabolites: Ubiquinol biosynthesis PW000981 Secondary Metabolites: Valine and I-leucine biosynthesis from pyruvate PW000978 Secondary Metabolites: threonine biosynthesis from aspartate PW000976 Valine Biosynthesis PW000812 Vitamin B6 1430936196 PW000891 fructose metabolism PW000913 fucose and rhamnose degradation PW000826 glycerol metabolism PW000914 glycerol metabolism II PW000915 glycerol metabolism III (sn-glycero-3-phosphoethanolamine) PW000916 glycerol metabolism IV (glycerophosphoglycerol) PW000917 glycerol metabolism V (glycerophosphoserine) PW000918 glycolysis and pyruvate dehydrogenase PW000785 hexuronide and hexuronate degradation PW000834 isoleucine biosynthesis PW000818 serine biosynthesis and metabolism PW000809 sulfur metabolism (butanesulfonate) PW000923 sulfur metabolism (ethanesulfonate) PW000925 sulfur metabolism (isethionate) PW000926 sulfur metabolism (methanesulfonate) PW000927 sulfur metabolism (propanesulfonate) PW000924 superpathway of D-glucarate and D-galactarate degradation PW000795 tryptophan metabolism II PW001916 ketogluconate metabolism PW002003 2-Oxopent-4-enoate metabolism 2 PW002035 Enterobactin Biosynthesis PW002048 Hydrogen Sulfide Biosynthesis I PW002066 L-lactaldehyde degradation (aerobic) PW002073 N-acetylneuraminate and N-acetylmannosamine and N-acetylglucosamine degradation PW002030 Secondary Metabolites: Ubiquinol biosynthesis 2 PW002036 Spermidine Biosynthesis I PW002040 Thiazole Biosynthesis I PW002041 D-serine degradation PW002101 L-cysteine degradation PW002110 Spermidine biosynthesis and metabolism PW002085 methylglyoxal degradation II PW002084 methylglyoxal degradation IV PW002078 pyruvate decarboxylation to acetyl CoA PW002083 pyruvate to cytochrome bd terminal oxidase electron transfer PW002087 | 88.0621 C3H4O3 |  |
| ECMDB01167 | Pyruvaldehyde 78-98-8 | 2-oxopropanal | 72.0627 C3H4O2 |  | |
| ECMDB21461 | Pyrroloquinoline quinone 72909-34-3 | 4,5-dioxo-1H,4H,5H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid | 330.206 C14H6N2O8 |  |