CHEBI:179985 - 3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid

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ChEBI Name 3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid
ChEBI ID CHEBI:179985
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H34O3
Net Charge 0
Average Mass 370.533
Monoisotopic Mass 370.25079
InChI InChI=1S/C24H34O3/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/h6,11,15-16,19-20H,4-5,7-10,12-14H2,1-3H3,(H,26,27)/t15-,16-,19-,20+,23+,24-/m1/s1
InChIKey WWKFKTTWNZBSEM-VWSJZJABSA-N
SMILES O=C1C[C@@]2([C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])=CC2)(CC1)C)[H]
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 3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid (CHEBI:179985) is a bile acid (CHEBI:3098)
IUPAC Name
(4R)-4-[(5R,10S,13R,14R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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4447167 ChemSpider
LMST04010332 LIPID MAPS
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