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CHEBI:186687 - (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl dodecanoate

ChEBI IDCHEBI:186687
ChEBI Name(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl dodecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O2
Net Charge0
Average Mass404.679
Monoisotopic Mass404.36543
SMILESCCCCCCCCCCCC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C27H48O2/c1-6-7-8-9-10-11-12-13-14-21-27(28)29-23-22-26(5)20-16-19-25(4)18-15-17-24(2)3/h17,19,22H,6-16,18,20-21,23H2,1-5H3/b25-19+,26-22+
InChIKeyAPTQJZOTWYEACL-HWHBRYGOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl dodecanoate (CHEBI:186687) is a wax ester (CHEBI:10036)
IUPAC Name 
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] dodecanoate
Manual XrefsDatabases
28591213ChemSpider
LMFA07010540LIPID MAPS