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CHEBI:20244 - 3β-hydroxy-4α-methyl-5α-cholest-7-ene-4β-carboxylic acid

ChEBI IDCHEBI:20244
ChEBI Name3β-hydroxy-4α-methyl-5α-cholest-7-ene-4β-carboxylic acid
Stars
ASCII Name3beta-hydroxy-4alpha-methyl-5alpha-cholest-7-ene-4beta-carboxylic acid
Last Modified10 December 2007
DownloadsMolfile
FormulaC29H48O3
Net Charge0
Average Mass444.700
Monoisotopic Mass444.36035
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)/t19-,21-,22+,23+,24-,25+,27-,28-,29-/m1/s1
InChIKeyUQFZKTIHSICSPG-HBQODBAGSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3β-hydroxy-4α-methyl-5α-cholest-7-ene-4β-carboxylic acid (CHEBI:20244) has parent hydride 5α-cholestane (CHEBI:35515)
3β-hydroxy-4α-methyl-5α-cholest-7-ene-4β-carboxylic acid (CHEBI:20244) is a 3β-hydroxy steroid (CHEBI:36836)
3β-hydroxy-4α-methyl-5α-cholest-7-ene-4β-carboxylic acid (CHEBI:20244) is a hydroxy monocarboxylic acid (CHEBI:35868)
IUPAC Name 
3β-hydroxy-4α-methyl-5α-cholest-7-ene-4β-carboxylic acid