CHEBI:18134 - 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid
ChEBI ID CHEBI:18134
ChEBI ASCII Name 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid
Definition A steroid acid consisting of 3β-hydroxy-4β-methyl-5α-cholest-7-ene having a carboxy group at the 4-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11908, CHEBI:1719
Supplier Information
Download Molfile XML SDF
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-DSHYQQBWSA-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-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid (CHEBI:18134) has parent hydride 5α-cholestane (CHEBI:35515)
3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid (CHEBI:18134) is a 3β-hydroxy steroid (CHEBI:36836)
3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid (CHEBI:18134) is a hydroxy monocarboxylic acid (CHEBI:35868)
3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid (CHEBI:18134) is a steroid acid (CHEBI:47891)
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)
Incoming 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)
IUPAC Name
3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid
Synonyms Sources
3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate KEGG COMPOUND
3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid UniProt
Manual Xref Database
C04840 KEGG COMPOUND
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Last Modified
05 January 2011