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

ChEBI IDCHEBI:58387
ChEBI Name3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
Stars
ASCII Name3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate
DefinitionA 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.
Last Modified21 September 2021
DownloadsMolfile
FormulaC29H47O3
Net Charge-1
Average Mass443.692
Monoisotopic Mass443.35307
SMILES[H][C@@]12CC=C3[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)[C@@]2(C)C(=O)[O-]
InChIInChI=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
InChIKeyUQFZKTIHSICSPG-DSHYQQBWSA-M
ChEBI Ontology
Outgoing Relation(s)
3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate (CHEBI:58387) is a 3β-hydroxysteroid-4α-carboxylate (CHEBI:136966)
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 Relation(s)
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-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
(3β,4α,5α)-3-hydroxy-4-methylcholest-7-ene-4-carboxylate
UniProt Name  Source
4α-carboxy-4β-methyl-5α-cholest-7-ene-3β-olUniProt