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CHEBI:171442 - TG(20:1(11Z)/14:0/20:2n6)

ChEBI IDCHEBI:171442
ChEBI NameTG(20:1(11Z)/14:0/20:2n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H104O6
Net Charge0
Average Mass885.453
Monoisotopic Mass884.78329
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCC
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/h16,19,24-27,54H,4-15,17-18,20-23,28-53H2,1-3H3/b19-16-,26-24-,27-25-/t54-/m1/s1
InChIKeyRKPJGADXZNHPGE-LCVXGRMFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) 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(20:1(11Z)/14:0/20:2n6) (CHEBI:171442) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-2-tetradecanoyloxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
HMDB0050306HMDB
59660251ChemSpider