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CHEBI:170612 - TG(14:1(9Z)/16:0/20:2n6)

ChEBI IDCHEBI:170612
ChEBI NameTG(14:1(9Z)/16:0/20:2n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H96O6
Net Charge0
Average Mass829.345
Monoisotopic Mass828.72069
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,50H,4-14,17,20-23,26-49H2,1-3H3/b18-15-,19-16-,25-24-/t50-/m0/s1
InChIKeyFKRJLNNLXUZMAE-ANHIWIAZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
TG(14:1(9Z)/16:0/20:2n6) (CHEBI:170612) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-hexadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
HMDB0047780HMDB
59656948ChemSpider