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CHEBI:52375 - episteryl oleate

ChEBI IDCHEBI:52375
ChEBI Nameepisteryl oleate
Stars
Last Modified21 January 2016
Submitterkieran
DownloadsMolfile
FormulaC46H78O2
Net Charge0
Average Mass663.128
Monoisotopic Mass662.60018
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\CCCCCCCC)C2
InChIInChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,27,35,37-39,41-43H,4,8-14,17-26,28-34H2,1-3,5-7H3/b16-15-/t37-,38+,39+,41-,42+,43+,45+,46-/m1/s1
InChIKeyWXTXUXMQBSJEQW-PIJZSGCZSA-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 oleate (CHEBI:52375) has functional parent episterol (CHEBI:23929)
episteryl oleate (CHEBI:52375) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
episteryl oleate (CHEBI:52375) is a episterol ester (CHEBI:52393)
IUPAC Name 
5α-ergosta-7,24(28)-dien-3β-yl (9Z)-octadec-9-enoate