EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:146131 - 4α-formylzymosterol

ChEBI IDCHEBI:146131
ChEBI Name4α-formylzymosterol
Stars
ASCII Name4alpha-formylzymosterol
DefinitionA 4-formylzymosterol in which the formyl group at position 4 has α-configuration.
Last Modified16 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])[C@H](C=O)[C@@H](O)CC[C@]12C
InChIInChI=1S/C28H44O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,17,19,21-24,26,30H,6,8-16H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-,28+/m1/s1
InChIKeyZLQSSFNCEUGGJF-NUESBDPTSA-N
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
4α-formylzymosterol (CHEBI:146131) has functional parent 4α-hydroxymethylzymosterol (CHEBI:146130)
4α-formylzymosterol (CHEBI:146131) is a 4-formylzymosterol (CHEBI:52615)
IUPAC Name 
3β-hydroxy-5α-cholesta-8,24-diene-4α-carbaldehyde
Synonym  Source
(1R,3aR,5aS,6S,7S,9aS,11aR)-7-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methylhept-5-en-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthrene-6-carbaldehydeIUPAC
UniProt Name  Source
4α-formylzymosterolUniProt
Manual XrefsDatabases
HMDB0062389HMDB
LMST01010226LIPID MAPS
CPD-4580MetaCyc
Citations