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CHEBI:171480 - TG(20:0/14:1(9Z)/20:2n6)

ChEBI IDCHEBI:171480
ChEBI NameTG(20:0/14:1(9Z)/20:2n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H104O6
Net Charge0
Average Mass885.453
Monoisotopic Mass884.78329
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,54H,4-14,17,20-23,25,27-53H2,1-3H3/b18-15-,19-16-,26-24-/t54-/m1/s1
InChIKeyNFCQXICLNHGVGZ-VZKMDISCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;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(20:0/14:1(9Z)/20:2n6) (CHEBI:171480) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate
Manual XrefsDatabases
59655013ChemSpider
HMDB0045672HMDB