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CHEBI:171395 - TG(16:0/20:3n6/14:1(9Z))

ChEBI IDCHEBI:171395
ChEBI NameTG(16:0/20:3n6/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H94O6
Net Charge0
Average Mass827.329
Monoisotopic Mass826.70504
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27,29,50H,4-14,17,20-23,26,28,30-49H2,1-3H3/b18-15-,19-16-,25-24-,29-27-/t50-/m1/s1
InChIKeyQGHMBTZEEQHOOE-YEIQNNBGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
TG(16:0/20:3n6/14:1(9Z)) (CHEBI:171395) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-hexadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
59653768ChemSpider
HMDB0044338HMDB