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CHEBI:52377 - ergosteryl oleate

ChEBI IDCHEBI:52377
ChEBI Nameergosteryl oleate
Stars
Last Modified21 January 2016
Submitterkieran
DownloadsMolfile
FormulaC46H76O2
Net Charge0
Average Mass661.112
Monoisotopic Mass660.58453
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CC[C@@]21C
InChIInChI=1S/C46H76O2/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/h15-16,24-27,35-37,39,41-43H,8-14,17-23,28-34H2,1-7H3/b16-15-,25-24+/t36-,37+,39-,41+,42-,43-,45-,46+/m0/s1
InChIKeyVVZNLLXLOKRQPH-NZIRWOIASA-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)
ergosteryl oleate (CHEBI:52377) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
ergosteryl oleate (CHEBI:52377) is a ergosteryl ester (CHEBI:52320)
IUPAC Name 
22E-ergosta-5,7,22-trien-3β-yl (9Z)-octadec-9-enoate