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CHEBI:166703 - 2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-en-24-oic acid

ChEBI IDCHEBI:166703
ChEBI Name2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-en-24-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O5
Net Charge0
Average Mass404.547
Monoisotopic Mass404.25627
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@]1([H])C2=CC(=O)[C@@]2([H])C[C@@H](O)[C@@H](O)C[C@]12C
InChIInChI=1S/C24H36O5/c1-13(4-7-22(28)29)15-5-6-16-14-10-19(25)18-11-20(26)21(27)12-24(18,3)17(14)8-9-23(15,16)2/h10,13,15-18,20-21,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,15-,16+,17+,18-,20-,21+,23-,24-/m1/s1
InChIKeyZDXZWIJQXLMLBZ-ZGHMVHKCSA-N
ChEBI Ontology
Outgoing Relation(s)
2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-en-24-oic acid (CHEBI:166703) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(2S,3R,5S,9R,10R,13R,14R,17R)-2,3-dihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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