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CHEBI:182575 - 1beta,3alpha-Dihydroxy-5beta-cholan-24-oic Acid

ChEBI IDCHEBI:182575
ChEBI Name1beta,3alpha-Dihydroxy-5beta-cholan-24-oic Acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O4
Net Charge0
Average Mass392.580
Monoisotopic Mass392.29266
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)[C@H](O)C[C@@H](O)C2
InChIInChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)13-21(26)24(15,3)20(17)10-11-23(18,19)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,20+,21-,23-,24+/m1/s1
InChIKeyBASPEALOGWANGT-ZGCQFCDISA-N
ChEBI Ontology
Outgoing Relation(s)
1beta,3alpha-Dihydroxy-5beta-cholan-24-oic Acid (CHEBI:182575) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(1R,3S,5R,8S,9S,10S,13R,14S,17R)-1,3-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
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