CHEBI:50591 - 4β-methylzymosterol-4α-carboxylic acid

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ChEBI Name 4β-methylzymosterol-4α-carboxylic acid
ChEBI ID CHEBI:50591
ChEBI ASCII Name 4beta-methylzymosterol-4alpha-carboxylic acid
Definition A 3β-sterol that consists of 4β-methylzymosterol in which the 4α-hydrogen is replaced by a carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H46O3
Net Charge 0
Average Mass 442.67374
Monoisotopic Mass 442.34470
InChI InChI=1S/C29H46O3/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/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1
InChIKey MYWAIWDQTCHPTH-LJAIZBFVSA-N
SMILES [H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(O)=O)[C@]1([H])CC3)[C@H](C)CCC=C(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4β-methylzymosterol-4α-carboxylic acid (CHEBI:50591) has functional parent zymosterol (CHEBI:18252)
4β-methylzymosterol-4α-carboxylic acid (CHEBI:50591) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
4β-methylzymosterol-4α-carboxylic acid (CHEBI:50591) has role mouse metabolite (CHEBI:75771)
4β-methylzymosterol-4α-carboxylic acid (CHEBI:50591) is a 3β-sterol (CHEBI:35348)
4β-methylzymosterol-4α-carboxylic acid (CHEBI:50591) is conjugate acid of 4β-methylzymosterol-4α-carboxylate (CHEBI:64925)
Incoming 4β-methylzymosterol-4α-carboxylate (CHEBI:64925) is conjugate base of 4β-methylzymosterol-4α-carboxylic acid (CHEBI:50591)
IUPAC Name
3β-hydroxy-4-methyl-5α-cholesta-8,24-diene-4α-carboxylic acid
Synonyms Sources
(3β,4α,5α)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid ChEBI
4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol KEGG COMPOUND
4α-carboxy-4β-methyl-cholesta-8,24-dien-3β-ol LIPID MAPS
4α-carboxy-4β-methyl-zymosterol LIPID MAPS
Manual Xrefs Databases
C15808 KEGG COMPOUND
LMST01010150 LIPID MAPS
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Last Modified
27 January 2016