EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:52378 - ergosteryl palmitoleate

ChEBI IDCHEBI:52378
ChEBI Nameergosteryl palmitoleate
Stars
Last Modified21 January 2016
Submitterkieran
DownloadsMolfile
FormulaC44H72O2
Net Charge0
Average Mass633.058
Monoisotopic Mass632.55323
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\CCCCCC)CC[C@@]21C
InChIInChI=1S/C44H72O2/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/h13-14,22-25,33-35,37,39-41H,8-12,15-21,26-32H2,1-7H3/b14-13-,23-22+/t34-,35+,37-,39+,40-,41-,43-,44+/m0/s1
InChIKeyYNMORHVGYFUEDW-CPYZXPJNSA-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 palmitoleate (CHEBI:52378) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
ergosteryl palmitoleate (CHEBI:52378) is a ergosteryl ester (CHEBI:52320)
IUPAC Name 
22E-ergosta-5,7,22-trien-3β-yl (9Z)-hexadec-9-enoate