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CHEBI:143574 - 3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylate

Default Structure
ChEBI IDCHEBI:143574
ChEBI Name3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylate
Stars
ASCII Name3beta-hydroxy-4alpha-methyl-5alpha-cholesta-8,24-diene-4beta-carboxylate
DefinitionA 3β-hydroxy-4α-methylsteroid-4β-carboxylate resulting from the deprotonation of the carboxy group of 3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylic acid. The major species at pH 7.3.
Last Modified6 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC29H45O3
Net Charge-1
Average Mass441.676
Monoisotopic Mass441.33742
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)/p-1/t19-,21-,22+,24-,25+,27-,28-,29-/m1/s1
InChIKeyMYWAIWDQTCHPTH-USCJBPCASA-M
ChEBI Ontology
Outgoing Relation(s)
3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylate (CHEBI:143574) is a 3β-hydroxy-4α-methylsteroid-4β-carboxylate (CHEBI:143569)
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)
Incoming Relation(s)
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)
IUPAC Name 
3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylate
Synonym  Source
4β-carboxy-4α-methyl-5α-cholesta-8,24-dien-3β-ol(1−)ChEBI
UniProt Name  Source
4β-carboxy-4α-methyl-5α-cholesta-8,24-dien-3β-olUniProt
Manual XrefsDatabases
CPD-21736MetaCyc
Citations