CHEBI:63842 - 4-carboxy-4-methylzymosterol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-carboxy-4-methylzymosterol
ChEBI ID CHEBI:63842
Definition A steroid acid, the 4-carboxy-4-methyl derivative of zymosterol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H46O3
Net Charge 0
Average Mass 442.67370
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-CKXAGKIBSA-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
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-ol ChEBI
Last Modified
05 December 2013