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CHEBI:63842 - 4-carboxy-4-methylzymosterol

ChEBI IDCHEBI:63842
ChEBI Name4-carboxy-4-methylzymosterol
Stars
DefinitionA steroid acid, the 4-carboxy-4-methyl derivative of zymosterol.
Last Modified16 July 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC29H46O3
Net Charge0
Average Mass442.684
Monoisotopic Mass442.34470
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])C(C)(C(=O)O)[C@@H](O)CC[C@]12C
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-CKXAGKIBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-carboxy-4-methylzymosterol (CHEBI:63842) has functional parent zymosterol (CHEBI:18252)
4-carboxy-4-methylzymosterol (CHEBI:63842) is a 3β-hydroxy steroid (CHEBI:36836)
4-carboxy-4-methylzymosterol (CHEBI:63842) is a monocarboxylic acid (CHEBI:25384)
4-carboxy-4-methylzymosterol (CHEBI:63842) is a steroid acid (CHEBI:47891)
IUPAC Name 
3β-hydroxy-4-methyl-5α-cholesta-8,24-diene-4-carboxylic acid
Synonym  Source
4-methyl,4-carboxy-5α-cholesta-8(9),24-dien-3β-olChEBI