EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:87287 - 4β-methylzymosterol-4-carbaldehyde

ChEBI IDCHEBI:87287
ChEBI Name4β-methylzymosterol-4-carbaldehyde
Stars
ASCII Name4beta-methylzymosterol-4-carbaldehyde
DefinitionA 3β-sterol that consists of 4β-methylzymosterol in which the 4α-hydrogen is replaced by a formyl group.
Last Modified9 September 2021
Submitterlaimo
DownloadsMolfile
FormulaC29H46O2
Net Charge0
Average Mass426.685
Monoisotopic Mass426.34978
SMILES[H]C(=O)[C@]1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@]21[H])[C@]1([H])CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]1(C)CC3
InChIInChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,18,20,22-23,25-26,31H,7,9-17H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1
InChIKeyGFGANDKVOKQAGH-WKYRUEGDSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
4β-methylzymosterol-4-carbaldehyde (CHEBI:87287) has functional parent zymosterol (CHEBI:18252)
4β-methylzymosterol-4-carbaldehyde (CHEBI:87287) has parent hydride lanostane (CHEBI:20265)
4β-methylzymosterol-4-carbaldehyde (CHEBI:87287) has role human metabolite (CHEBI:77746)
4β-methylzymosterol-4-carbaldehyde (CHEBI:87287) is a 3β-sterol (CHEBI:35348)
4β-methylzymosterol-4-carbaldehyde (CHEBI:87287) is a 4α-formyl steroid (CHEBI:145954)
IUPAC Name 
3β-hydroxy-4-methyl-5α-cholesta-8,24-diene-4α-carbaldehyde
Synonyms  Source
4α-formyl-4-methylzymosterolChEBI
(3β,4α,5α)-3-hydroxy-4-methylcholesta-8,24-diene-4-carbaldehydeIUPAC
UniProt Name  Source
4β-methylzymosterol-4α-carbaldehydeUniProt
Manual XrefsDatabases
HMDB0012167HMDB
CPD-4576MetaCyc