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CHEBI:169222 - Octadecyl fumarate

ChEBI IDCHEBI:169222
ChEBI NameOctadecyl fumarate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H40O4
Net Charge0
Average Mass368.558
Monoisotopic Mass368.29266
SMILESCCCCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O
InChIInChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h18-19H,2-17,20H2,1H3,(H,23,24)/b19-18-
InChIKeyMHQJUHSHQGQVTM-HNENSFHCSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Octadecyl fumarate (CHEBI:169222) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
(Z)-4-octadecoxy-4-oxobut-2-enoic acid
Manual XrefsDatabases
4941511ChemSpider
HMDB0038073HMDB
LMFA07010979LIPID MAPS
Registry NumbersSources
CAS:2424-62-6ChemIDplus