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CHEBI:52615 - 4-formylzymosterol

ChEBI IDCHEBI:52615
ChEBI Name4-formylzymosterol
Stars
DefinitionA 3β-sterol that is zymosterol which carries a formyl group at position 4.
Last Modified16 July 2021
Submitterkieran
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(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-BZBPNLPVSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
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)
4-formylzymosterol (CHEBI:52615) has functional parent zymosterol (CHEBI:18252)
4-formylzymosterol (CHEBI:52615) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
4-formylzymosterol (CHEBI:52615) is a 3β-sterol (CHEBI:35348)
4-formylzymosterol (CHEBI:52615) is a aldehyde (CHEBI:17478)
Incoming Relation(s)
4α-formylzymosterol (CHEBI:146131) is a 4-formylzymosterol (CHEBI:52615)
IUPAC Name 
(20R)-3β-hydroxy-5α-cholesta-8,24-diene-4-carbaldehyde
Synonym  Source
zymosterol intermediate 1bLIPID MAPS
UniProt Name  Source
4-formylzymosterolUniProt
Manual XrefsDatabases
LMST01010171LIPID MAPS