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CHEBI:170790 - TG(20:2n6/16:0/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:170790
ChEBI NameTG(20:2n6/16:0/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H100O6
Net Charge0
Average Mass881.421
Monoisotopic Mass880.75199
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29,54H,4-7,9-10,12-15,18,21-24,28,30-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-/t54-/m1/s1
InChIKeyWCWOBBHQCJULDM-CYNWPRIGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
TG(20:2n6/16:0/18:3(9Z,12Z,15Z)) (CHEBI:170790) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-hexadecanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
59662021ChemSpider
HMDB0053296HMDB