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CHEBI:180939 - 3beta,7beta-Dihydroxy-5alpha-cholan-24-oic Acid

ChEBI IDCHEBI:180939
ChEBI Name3beta,7beta-Dihydroxy-5alpha-cholan-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O4
Net Charge0
Average Mass392.580
Monoisotopic Mass392.29266
SMILES[H][C@]12C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@@H](O)C2
InChIInChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1
InChIKeyRUDATBOHQWOJDD-IMRDPUKRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS1183)
ChEBI Ontology
Outgoing Relation(s)
3beta,7beta-Dihydroxy-5alpha-cholan-24-oic Acid (CHEBI:180939) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(3S,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual XrefsDatabases
4446918ChemSpider
LMST04010039LIPID MAPS