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CHEBI:178703 - 3alpha,12beta-Dihydroxy-5beta-chola-7,9(11)-dien-24-oic Acid

ChEBI IDCHEBI:178703
ChEBI Name3alpha,12beta-Dihydroxy-5beta-chola-7,9(11)-dien-24-oic Acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O4
Net Charge0
Average Mass388.548
Monoisotopic Mass388.26136
SMILES[H][C@]12CC=C3C(=C[C@@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=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/h6,13-16,18-19,21,25-26H,4-5,7-12H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,19+,21-,23+,24-/m1/s1
InChIKeyMHMJDFLOHGJHIJ-JWBKYCAUSA-N
ChEBI Ontology
Outgoing Relation(s)
3alpha,12beta-Dihydroxy-5beta-chola-7,9(11)-dien-24-oic Acid (CHEBI:178703) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(3R,5R,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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