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

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ChEBI Name 3β-hydroxy-4α-methyl-5α-cholest-7-ene-4β-carboxylic acid
ChEBI ID CHEBI:20244
ChEBI ASCII Name 3beta-hydroxy-4alpha-methyl-5alpha-cholest-7-ene-4beta-carboxylic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H48O3
Net Charge 0
Average Mass 444.68962
Monoisotopic Mass 444.36035
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)/t19-,21-,22+,23+,24-,25+,27-,28-,29-/m1/s1
InChIKey UQFZKTIHSICSPG-HBQODBAGSA-N
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
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Last Modified
10 December 2007