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CHEBI:176833 - Serine-Cholic Acid
| Formula | C27H45NO7 |
| Net Charge | 0 |
| Average Mass | 495.657 |
| Monoisotopic Mass | 495.31960 |
| SMILES | CC(CCC(=O)NC(CO)C(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C |
| InChI | InChI=1S/C27H45NO7/c1-14(4-7-23(33)28-20(13-29)25(34)35)17-5-6-18-24-19(12-22(32)27(17,18)3)26(2)9-8-16(30)10-15(26)11-21(24)31/h14-22,24,29-32H,4-13H2,1-3H3,(H,28,33)(H,34,35) |
| InChIKey | LLEBFOGPKXFKIL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS2531) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Serine-Cholic Acid (CHEBI:176833) is a bile acid glycine conjugate (CHEBI:36255) |
| IUPAC Name |
|---|
| 3-hydroxy-2-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]propanoic acid |