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CHEBI:52376 - episteryl palmitoleate

ChEBI IDCHEBI:52376
ChEBI Nameepisteryl palmitoleate
Stars
DefinitionAn episterol ester obtained by formal condensation of the carboxy group of palmitoleic acid with the hydroxy group of episterol.
Last Modified21 January 2016
Submitterkieran
DownloadsMolfile
FormulaC44H74O2
Net Charge0
Average Mass635.074
Monoisotopic Mass634.56888
SMILES[H][C@@]12CC=C3[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)C2
InChIInChI=1S/C44H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h13-14,25,33,35-37,39-41H,4,8-12,15-24,26-32H2,1-3,5-7H3/b14-13-/t35-,36+,37+,39-,40+,41+,43+,44-/m1/s1
InChIKeySYZHHZICOBPDNN-ADJCQIKLSA-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)
episteryl palmitoleate (CHEBI:52376) has functional parent episterol (CHEBI:23929)
episteryl palmitoleate (CHEBI:52376) has functional parent palmitoleic acid (CHEBI:28716)
episteryl palmitoleate (CHEBI:52376) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
episteryl palmitoleate (CHEBI:52376) is a episterol ester (CHEBI:52393)
IUPAC Name 
5α-ergosta-7,24(28)-dien-3β-yl (9Z)-hexadec-9-enoate
Synonym  Source
episterol palmitoleateChEBI
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