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CHEBI:173212 - 3alpha,12alpha-Dihydroxy-5beta-chola-7,14-dien-24-oic Acid
| Formula | C24H36O4 |
| Net Charge | 0 |
| Average Mass | 388.548 |
| Monoisotopic Mass | 388.26136 |
| SMILES | [H][C@]12CC=C3C4=CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 |
| InChI | InChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h6,8,14-16,18,20-21,25-26H,4-5,7,9-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1 |
| InChIKey | ZQPPREINMPDUKK-IMPNNSMHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | feces (BTO:0000440) | MetaboLights (MTBLS2721) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3alpha,12alpha-Dihydroxy-5beta-chola-7,14-dien-24-oic Acid (CHEBI:173212) is a cholanoid (CHEBI:36078) |
| IUPAC Name |
|---|
| (4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 4447183 | ChemSpider |
| LMST04010348 | LIPID MAPS |