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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4β-methylzymosterol-4α-carboxylate
ChEBI ID CHEBI:64925
ChEBI ASCII Name 4beta-methylzymosterol-4alpha-carboxylate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C29H45O3
Net Charge -1
Average Mass 441.66580
Monoisotopic Mass 441.33742
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)/p-1/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1
InChIKey MYWAIWDQTCHPTH-LJAIZBFVSA-M
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
ChEBI Ontology
Outgoing 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 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 Sources
(3β,4α,5α)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylate IUPAC
4α-carboxylato-4β-methyl-zymosterol ChEBI
4β-methylzymosterol-4α-carboxylate UniProt
4β-methylzymosterol-4α-carboxylate(1−) ChEBI
Last Modified
16 July 2021