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

ChEBI IDCHEBI:50591
ChEBI Name4β-methylzymosterol-4α-carboxylic acid
Stars
ASCII Name4beta-methylzymosterol-4alpha-carboxylic acid
DefinitionA 3β-sterol that consists of 4β-methylzymosterol in which the 4α-hydrogen is replaced by a carboxy group.
Last Modified27 January 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC29H46O3
Net Charge0
Average Mass442.684
Monoisotopic Mass442.34470
SMILES[H][C@@]12CCC3=C(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)[C@@]2(C)C(=O)O
InChIInChI=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
InChIKeyMYWAIWDQTCHPTH-LJAIZBFVSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-olKEGG COMPOUND
(3β,4α,5α)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acidChEBI
4α-carboxy-4β-methyl-zymosterolLIPID MAPS
4α-carboxy-4β-methyl-cholesta-8,24-dien-3β-olLIPID MAPS
Manual XrefsDatabases
C15808KEGG COMPOUND
LMST01010150LIPID MAPS