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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol
ChEBI ID CHEBI:34057
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C41H71NO4
Net Charge 0
Average Mass 642.008
Monoisotopic Mass 641.53831
InChI InChI=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-
InChIKey XGMYKLVNSJNGSZ-AUYXYSRISA-N
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(=C)C(OC(=O)CCCCCCC\C=C/CCCCCCCC)C#N
ChEBI Ontology
Outgoing 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-diol KEGG COMPOUND
Manual Xref Database
C13845 KEGG COMPOUND
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Last Modified
28 July 2014