CHEBI:187942 - 5beta-Chol-2-en-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 5beta-Chol-2-en-24-oic Acid
ChEBI ID CHEBI:187942
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38O2
Net Charge 0
Average Mass 358.566
Monoisotopic Mass 358.28718
InChI InChI=1S/C24H38O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h4-5,16-21H,6-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey FZSKILMPRKPLJG-LVVAJZGHSA-N
SMILES OC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(CC=CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)[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 5beta-Chol-2-en-24-oic Acid (CHEBI:187942) is a bile acid (CHEBI:3098)
IUPAC Name
(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual Xrefs Databases
4447028 ChemSpider
LMST04010170 LIPID MAPS
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