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CHEBI:170940 - TG(14:1(9Z)/20:0/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:170940
ChEBI NameTG(14:1(9Z)/20:0/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H102O6
Net Charge0
Average Mass883.437
Monoisotopic Mass882.76764
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,30,32,38,41,54H,4-14,16-17,19-23,25,27-29,31,33-37,39-40,42-53H2,1-3H3/b18-15-,26-24-,32-30-,41-38-/t54-/m0/s1
InChIKeyDIKFHEKYQJZAEV-AILMYUQKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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(14:1(9Z)/20:0/20:3(5Z,8Z,11Z)) (CHEBI:170940) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] icosanoate
Manual XrefsDatabases
59656987ChemSpider
HMDB0047821HMDB