EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64925 - 4β-methylzymosterol-4α-carboxylate

ChEBI IDCHEBI:64925
ChEBI Name4β-methylzymosterol-4α-carboxylate
Stars
ASCII Name4beta-methylzymosterol-4alpha-carboxylate
DefinitionA steroid acid anion that is the conjugate base of 4β-methylzymosterol-4α-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified16 July 2021
SubmitterAlan Bridge
DownloadsMolfile
FormulaC29H45O3
Net Charge-1
Average Mass441.676
Monoisotopic Mass441.33742
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)/p-1/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1
InChIKeyMYWAIWDQTCHPTH-LJAIZBFVSA-M
ChEBI Ontology
Outgoing Relation(s)
4β-methylzymosterol-4α-carboxylate (CHEBI:64925) is a steroid acid anion (CHEBI:50160)
4β-methylzymosterol-4α-carboxylate (CHEBI:64925) is conjugate base of 4β-methylzymosterol-4α-carboxylic acid (CHEBI:50591)
Incoming Relation(s)
4β-methylzymosterol-4α-carboxylic acid (CHEBI:50591) is conjugate acid of 4β-methylzymosterol-4α-carboxylate (CHEBI:64925)
IUPAC Name 
3β-hydroxy-4-methyl-5α-cholesta-8,24-diene-4α-carboxylate
Synonyms  Source
4β-methylzymosterol-4α-carboxylate(1−)ChEBI
(3β,4α,5α)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylateIUPAC
4α-carboxylato-4β-methyl-zymosterolChEBI
UniProt Name  Source
4β-methylzymosterol-4α-carboxylateUniProt