CHEBI:187932 - 1alpha,3alpha-Dihydroxy-5beta-cholan-24-oic Acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1alpha,3alpha-Dihydroxy-5beta-cholan-24-oic Acid
ChEBI ID CHEBI:187932
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H40O4
Net Charge 0
Average Mass 392.580
Monoisotopic Mass 392.29266
InChI InChI=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
InChIKey BASPEALOGWANGT-SSGJQMIMSA-N
SMILES O[C@@H]1[C@@]2([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])(CC[C@@]2(C[C@H](O)C1)[H])[H])[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 1alpha,3alpha-Dihydroxy-5beta-cholan-24-oic Acid (CHEBI:187932) is a cholanoid (CHEBI:36078)
IUPAC Name
(4R)-4-[(1S,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
Manual Xrefs Databases
4446903 ChemSpider
LMST04010019 LIPID MAPS
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