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CHEBI:196600 - 3alpha,7beta-Dihydroxy-5beta-chol-11-en-24-oic Acid

ChEBI IDCHEBI:196600
ChEBI Name3alpha,7beta-Dihydroxy-5beta-chol-11-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O4
Net Charge0
Average Mass390.564
Monoisotopic Mass390.27701
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C=C[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@@H](O)C2
InChIInChI=1S/C24H38O4/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/h9,11,14-20,22,25-26H,4-8,10,12-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
InChIKeyKHMDWPNMFSMERZ-UZVSRGJWSA-N
ChEBI Ontology
Outgoing Relation(s)
3alpha,7beta-Dihydroxy-5beta-chol-11-en-24-oic Acid (CHEBI:196600) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(3R,5S,7S,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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