CHEBI:52378 - ergosteryl palmitoleate

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ChEBI Name ergosteryl palmitoleate
ChEBI ID CHEBI:52378
Stars This entity has been manually annotated by the ChEBI Team.
Submitter kieran
Supplier Information
Download Molfile XML SDF
Formula C44H72O2
Net Charge 0
Average Mass 633.04130
Monoisotopic Mass 632.55323
InChI InChI=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
InChIKey YNMORHVGYFUEDW-CPYZXPJNSA-N
SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/CCCCCC)[C@H](C)\C=C\[C@H](C)C(C)C
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Last Modified
21 January 2016