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CHEBI:185026 - 3alpha,7alpha,12alpha-Trihydroxy-5alpha-chol-22-en-24-oic acid

ChEBI IDCHEBI:185026
ChEBI Name3alpha,7alpha,12alpha-Trihydroxy-5alpha-chol-22-en-24-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O5
Net Charge0
Average Mass406.563
Monoisotopic Mass406.27192
SMILES[H][C@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)/C=C/C(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h4,7,13-20,22,25-27H,5-6,8-12H2,1-3H3,(H,28,29)/b7-4+/t13-,14-,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKeyHPSPHNNWIOQCEQ-CYKYKOPASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3alpha,7alpha,12alpha-Trihydroxy-5alpha-chol-22-en-24-oic acid (CHEBI:185026) is a 7-hydroxy steroid (CHEBI:36844)
IUPAC Name 
(E,4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-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]pent-2-enoic acid
Manual XrefsDatabases
LMST04010307LIPID MAPS
4447145ChemSpider