CHEBI:87047 - 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylate
ChEBI ID CHEBI:87047
ChEBI ASCII Name 3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylate
Definition A steroid acid anion that is the conjugate base of 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter abridge
Supplier Information
Download Molfile XML SDF
Formula C29H47O3
Net Charge -1
Average Mass 443.68220
Monoisotopic Mass 443.35307
InChI InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h18-19,21-22,24-25,30H,7-17H2,1-6H3,(H,31,32)/p-1/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1
InChIKey GLCDBDRQLZKKOJ-LJAIZBFVSA-M
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)([C@@H]1CC3)C([O-])=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylate (CHEBI:87047) has role human metabolite (CHEBI:77746)
3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylate (CHEBI:87047) is a steroid acid anion (CHEBI:50160)
3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylate (CHEBI:87047) is conjugate base of 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylic acid (CHEBI:87277)
Incoming 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylic acid (CHEBI:87277) is conjugate acid of 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylate (CHEBI:87047)
IUPAC Name
(3β,4α,5α)-3-hydroxy-4-methylcholest-8-ene-4-carboxylate
Synonyms Sources
4α-carboxy-4β-methyl-5α-cholest-8-en-3β-ol UniProt
4α-carboxy-4β-methyl-5α-cholest-8-en-3β-ol(1−) ChEBI
Manual Xref Database
CPD-8613 MetaCyc
View more database links
Last Modified
14 August 2015