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CHEBI:186698 - 13E,15E,18Z,20Z-pentacosatetraen-11-ynyl acetate

ChEBI IDCHEBI:186698
ChEBI Name13E,15E,18Z,20Z-pentacosatetraen-11-ynyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O2
Net Charge0
Average Mass398.631
Monoisotopic Mass398.31848
SMILESCCCC/C=C\C=C/C/C=C/C=C/C#CCCCCCCCCCCOC(C)=O
InChIInChI=1S/C27H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27(2)28/h6-9,11-14H,3-5,10,17-26H2,1-2H3/b7-6-,9-8-,12-11+,14-13+
InChIKeyLWTBVVYDHCHHOE-HYPSEFPRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
13E,15E,18Z,20Z-pentacosatetraen-11-ynyl acetate (CHEBI:186698) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(13E,15E,18Z,20Z)-pentacosa-13,15,18,20-tetraen-11-ynyl] acetate
Manual XrefsDatabases
24841969ChemSpider
LMFA07010407LIPID MAPS