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3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylate

Go to external page http://purl.obolibrary.org/obo/CHEBI_87047

A steroid acid anion that is the conjugate base of 3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Term info

Label

3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylate

Synonyms
  • (3beta,4alpha,5alpha)-3-hydroxy-4-methylcholest-8-ene-4-carboxylate
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta,4alpha,5alpha)-3-hydroxy-4-methylcholest-8-ene-4-carboxylate [ IUPAC ]

charge

-1

formula

C29H47O3

has obo namespace

chebi_ontology

has related synonym

4alpha-carboxy-4beta-methyl-5alpha-cholest-8-en-3beta-ol(1-), 4alpha-carboxy-4beta-methyl-5alpha-cholest-8-en-3beta-ol

id

CHEBI:87047

inchi

InChI=1S/C29H48O3/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/h18-19,21-22,24-25,30H,7-17H2,1-6H3,(H,31,32)/p-1/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1

inchikey

GLCDBDRQLZKKOJ-LJAIZBFVSA-M

mass

443.68220

monoisotopicmass

443.35307

smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)([C@@H]1CC3)C([O-])=O