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CHEBI:170931 - TG(16:1(9Z)/20:2n6/18:1(9Z))

ChEBI IDCHEBI:170931
ChEBI NameTG(16:1(9Z)/20:2n6/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H102O6
Net Charge0
Average Mass883.437
Monoisotopic Mass882.76764
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29,54H,4-15,17-18,20,22-23,28,30-53H2,1-3H3/b19-16-,24-21-,27-25-,29-26-/t54-/m0/s1
InChIKeyGARPFACGXFDLSO-UDEYGTCASA-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;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
TG(16:1(9Z)/20:2n6/18:1(9Z)) (CHEBI:170931) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
HMDB0048789HMDB
59657887ChemSpider