CHEBI:176415 - 3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid

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ChEBI Name 3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid
ChEBI ID CHEBI:176415
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H36O3
Net Charge 0
Average Mass 372.549
Monoisotopic Mass 372.26645
InChI InChI=1S/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h6,11,15-17,19-20,25H,4-5,7-10,12-14H2,1-3H3,(H,26,27)/t15-,16-,17-,19-,20+,23+,24-/m1/s1
InChIKey BCMBRGZVZCQHFO-GCIZHPIPSA-N
SMILES O[C@H]1C[C@@]2([C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])=CC2)(CC1)C)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in blood plasma (BTO:0000131). of strain ICR Mouse [NCIT:C37408] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid (CHEBI:176415) is a bile acid (CHEBI:3098)
IUPAC Name
(4R)-4-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual Xrefs Databases
4447165 ChemSpider
LMST04010330 LIPID MAPS
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