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CHEBI:34057 - 1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol

ChEBI IDCHEBI:34057
ChEBI Name1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H71NO4
Net Charge0
Average Mass642.022
Monoisotopic Mass641.53831
SMILESC=C(COC(=O)CCCCCCC/C=C\CCCCCCCC)C(C#N)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C41H71NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(43)45-37-38(3)39(36-42)46-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,39H,3-17,22-35,37H2,1-2H3/b20-18-,21-19-
InChIKeyXGMYKLVNSJNGSZ-AUYXYSRISA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol (CHEBI:34057) is a fatty acid ester (CHEBI:35748)
1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol (CHEBI:34057) is a nitrile (CHEBI:18379)
Synonym  Source
1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diolKEGG COMPOUND
Manual XrefsDatabases
C13845KEGG COMPOUND