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CHEBI:145310 - 3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylic acid

ChEBI IDCHEBI:145310
ChEBI Name3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylic acid
Stars
ASCII Name3beta-hydroxy-4alpha-methyl-5alpha-cholesta-8,24-diene-4beta-carboxylic acid
DefinitionA steroid acid that is 3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene in which the hydrogen at the 4β position has been replaced by a carboxy group.
Last Modified6 November 2019
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H46O3
Net Charge0
Average Mass442.684
Monoisotopic Mass442.34470
SMILES[H][C@@]12CCC3=C(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)[C@]2(C)C(=O)O
InChIInChI=1S/C29H46O3/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/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21-,22+,24-,25+,27-,28-,29-/m1/s1
InChIKeyMYWAIWDQTCHPTH-USCJBPCASA-N
ChEBI Ontology
Outgoing Relation(s)
3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylic acid (CHEBI:145310) is a 3β-hydroxy steroid (CHEBI:36836)
3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylic acid (CHEBI:145310) is a steroid acid (CHEBI:47891)
3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylic acid (CHEBI:145310) is conjugate acid of 3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylate (CHEBI:143574)
Incoming Relation(s)
3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylate (CHEBI:143574) is conjugate base of 3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylic acid (CHEBI:145310)
IUPAC Name 
3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylic acid
Manual XrefsDatabases
CPD-21736MetaCyc
Citations