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CHEBI:185193 - 3,12,15-Trioxo-5beta-cholan-24-oic Acid
| Formula | C24H34O5 |
| Net Charge | 0 |
| Average Mass | 402.531 |
| Monoisotopic Mass | 402.24062 |
| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])(CC(=O)[C@@]4(C)[C@@]3([H])C(=O)C[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CCC(=O)C2 |
| InChI | InChI=1S/C24H34O5/c1-13(4-7-21(28)29)17-11-19(26)22-16-6-5-14-10-15(25)8-9-23(14,2)18(16)12-20(27)24(17,22)3/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14-,16-,17-,18+,22-,23+,24+/m1/s1 |
| InChIKey | SCMCFQAAPCVHCE-YPWLHJPSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,12,15-Trioxo-5beta-cholan-24-oic Acid (CHEBI:185193) is a bile acid (CHEBI:3098) |
| IUPAC Name |
|---|
| (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12,15-trioxo-1,2,4,5,6,7,8,9,11,14,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 4447101 | ChemSpider |
| LMST04010260 | LIPID MAPS |