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CHEBI:170674 - TG(14:0/14:1(9Z)/22:2(13Z,16Z))

ChEBI IDCHEBI:170674
ChEBI NameTG(14:0/14:1(9Z)/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H96O6
Net Charge0
Average Mass829.345
Monoisotopic Mass828.72069
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h15-16,18-19,23-24,50H,4-14,17,20-22,25-49H2,1-3H3/b18-15-,19-16-,24-23-/t50-/m1/s1
InChIKeyIXCOGNZYDBTCLG-ZPVWCFDYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;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(14:0/14:1(9Z)/22:2(13Z,16Z)) (CHEBI:170674) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-tetradecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
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