CHEBI:58387 - 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate

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ChEBI Name 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
ChEBI ID CHEBI:58387
ChEBI ASCII Name 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate
Definition A steroid acid anion that is the conjugate base of 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid, obtained via deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H47O3
Net Charge -1
Average Mass 443.68170
Monoisotopic Mass 443.35307
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/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/p-1/t19-,21-,22+,23+,24-,25+,27-,28-,29+/m1/s1
InChIKey UQFZKTIHSICSPG-DSHYQQBWSA-M
SMILES [H][C@@]1(CC[C@@]2([H])C3=CC[C@]4([H])[C@](C)(CC[C@H](O)[C@@]4(C)C([O-])=O)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
ChEBI Ontology
Outgoing 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate (CHEBI:58387) is a steroid acid anion (CHEBI:50160)
3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate (CHEBI:58387) is conjugate base of 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid (CHEBI:18134)
Incoming 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid (CHEBI:18134) is conjugate acid of 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate (CHEBI:58387)
IUPAC Names
(3β,4α,5α)-3-hydroxy-4-methylcholest-7-ene-4-carboxylate
3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
Synonym Source
3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate UniProt
Last Modified
03 August 2015