CHEBI:87277 - 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylic acid
ChEBI ID CHEBI:87277
ChEBI ASCII Name 3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylic acid
Definition A 3β-sterol that is 5α-cholest-8-en-3β-ol carrying carboxy and methyl substituents at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H48O3
Net Charge 0
Average Mass 444.68960
Monoisotopic Mass 444.36035
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)/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1
InChIKey GLCDBDRQLZKKOJ-LJAIZBFVSA-N
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-carboxylic acid (CHEBI:87277) has role human metabolite (CHEBI:77746)
3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylic acid (CHEBI:87277) is a 3β-sterol (CHEBI:35348)
3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylic acid (CHEBI:87277) is a cholestanoid (CHEBI:50401)
3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylic acid (CHEBI:87277) is a steroid acid (CHEBI:47891)
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)
Incoming 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)
IUPAC Name
(3β,4α,5α)-3-hydroxy-4-methylcholest-8-ene-4-carboxylic acid
Synonyms Sources
4α-carboxy-4β-methyl-5α-cholest-8-en-3β-ol ChEBI
4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol HMDB
Manual Xrefs Databases
CPD-8613 MetaCyc
HMDB0012165 HMDB
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Last Modified
03 August 2015