CHEBI:185743 - 7alpha-Hydroxy-3-oxochola-1,4-dien-24-oic Acid

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ChEBI Name 7alpha-Hydroxy-3-oxochola-1,4-dien-24-oic Acid
ChEBI ID CHEBI:185743
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H34O4
Net Charge 0
Average Mass 386.532
Monoisotopic Mass 386.24571
InChI InChI=1S/C24H34O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h8,10,12,14,17-20,22,26H,4-7,9,11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKey DSJUPINAPLIUNZ-NLXMLWGDSA-N
SMILES O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4(C(C1)=CC(=O)C=C4)C)[H])C)[H])[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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 7alpha-Hydroxy-3-oxochola-1,4-dien-24-oic Acid (CHEBI:185743) is a bile acid (CHEBI:3098)
IUPAC Name
(4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual Xrefs Databases
4447085 ChemSpider
LMST04010242 LIPID MAPS
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