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CHEBI:171329 - TG(18:1(9Z)/18:1(11Z)/20:3n6)

ChEBI IDCHEBI:171329
ChEBI NameTG(18:1(9Z)/18:1(11Z)/20:3n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H104O6
Net Charge0
Average Mass909.475
Monoisotopic Mass908.78329
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
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/h16,19,21,24-26,28,30,32,34,56H,4-15,17-18,20,22-23,27,29,31,33,35-55H2,1-3H3/b19-16-,24-21-,28-25-,30-26-,34-32-/t56-/m0/s1
InChIKeyILDCUSRLFSWCRA-JESVLPIJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
TG(18:1(9Z)/18:1(11Z)/20:3n6) (CHEBI:171329) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(Z)-octadec-9-enoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
59659874ChemSpider
HMDB0049889HMDB