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

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ChEBI Name 3β-hydroxy-4α-methyl-5α-cholesta-8,24-diene-4β-carboxylate
ChEBI ID CHEBI:143574
ChEBI ASCII Name 3beta-hydroxy-4alpha-methyl-5alpha-cholesta-8,24-diene-4beta-carboxylate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C29H45O3
Net Charge -1
Average Mass 441.677
Monoisotopic Mass 441.33742
InChI InChI=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
InChIKey MYWAIWDQTCHPTH-USCJBPCASA-M
SMILES C12=C([C@]3([C@]([C@](CC3)([C@@H](CCC=C(C)C)C)[H])(C)CC1)[H])CC[C@@]4([C@@]2(CC[C@@H]([C@@]4(C(=O)[O-])C)O)C)[H]
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
4β-carboxy-4α-methyl-5α-cholesta-8,24-dien-3β-ol UniProt
4β-carboxy-4α-methyl-5α-cholesta-8,24-dien-3β-ol(1−) ChEBI
Manual Xref Database
CPD-21736 MetaCyc
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Citation Waiting for Citations Type Source
29784781 PubMed citation SUBMITTER
Last Modified
06 November 2019