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CHEBI:178363 - 2-methoxy-12-methyloctadec-17-en-5-ynoyl anhydride

Default Structure
ChEBI IDCHEBI:178363
ChEBI Name2-methoxy-12-methyloctadec-17-en-5-ynoyl anhydride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H66O5
Net Charge0
Average Mass626.963
Monoisotopic Mass626.49103
SMILESC=CCCCCC(C)CCCCCC#CCCC(OC)C(=O)OC(=O)C(CCC#CCCCCCC(C)CCCCC=C)OC
InChIInChI=1S/C40H66O5/c1-7-9-11-23-29-35(3)31-25-19-15-13-17-21-27-33-37(43-5)39(41)45-40(42)38(44-6)34-28-22-18-14-16-20-26-32-36(4)30-24-12-10-8-2/h7-8,35-38H,1-2,9-16,19-20,23-34H2,3-6H3
InChIKeyVOGBKCAANIAXCI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-methoxy-12-methyloctadec-17-en-5-ynoyl anhydride (CHEBI:178363) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(2-methoxy-12-methyloctadec-17-en-5-ynoyl) 2-methoxy-12-methyloctadec-17-en-5-ynoate
Manual XrefsDatabases
9105434ChemSpider
LMFA00000001LIPID MAPS