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CHEBI:171189 - TG(14:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:171189
ChEBI NameTG(14:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H96O6
Net Charge0
Average Mass853.367
Monoisotopic Mass852.72069
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24-26,28,52H,4-7,9-10,12-14,16,19,21-23,27,29-51H2,1-3H3/b11-8-,18-15-,20-17-,26-24-,28-25-/t52-/m0/s1
InChIKeyTYVUFKFTHSFXIT-XDBIBJELSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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(14:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z)) (CHEBI:171189) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-icos-11-enoate
Manual XrefsDatabases
59657152ChemSpider
HMDB0047993HMDB