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CHEBI:171289 - TG(18:3(6Z,9Z,12Z)/18:0/20:2n6)

ChEBI IDCHEBI:171289
ChEBI NameTG(18:3(6Z,9Z,12Z)/18:0/20:2n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H104O6
Net Charge0
Average Mass909.475
Monoisotopic Mass908.78329
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28,30,36,39,56H,4-15,18,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,39-36-/t56-/m0/s1
InChIKeyPGKXXCVUXFYBGA-IKHXCLKRSA-N
Species of MetaboliteComponentSourceComments
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)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
TG(18:3(6Z,9Z,12Z)/18:0/20:2n6) (CHEBI:171289) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-octadecanoyloxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
HMDB0052888HMDB
59661642ChemSpider