CHEBI:188222 - 3alpha-Hydroxychol-4-en-24-oic Acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 3alpha-Hydroxychol-4-en-24-oic Acid
ChEBI ID CHEBI:188222
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38O3
Net Charge 0
Average Mass 374.565
Monoisotopic Mass 374.28210
InChI InChI=1S/C24H38O3/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/h14-15,17-21,25H,4-13H2,1-3H3,(H,26,27)/t15-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey PBEOKCZYNAQOKE-HBRDEYFMSA-N
SMILES O[C@@H]1CC[C@@]2([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])(CCC2=C1)[H])[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). 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-Hydroxychol-4-en-24-oic Acid (CHEBI:188222) is a bile acid (CHEBI:3098)
IUPAC Name
(4R)-4-[(3R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual Xrefs Databases
4447051 ChemSpider
LMST04010198 LIPID MAPS
View more database links