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CHEBI:170717 - TG(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z))

ChEBI IDCHEBI:170717
ChEBI NameTG(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H98O6
Net Charge0
Average Mass855.383
Monoisotopic Mass854.73634
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,52H,4-15,17-18,22,26,28-51H2,1-3H3/b19-16-,23-20-,24-21-,27-25-/t52-/m0/s1
InChIKeyCREVCBCOPOOZEP-FJBDFYQDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z)) (CHEBI:170717) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-11-enoate
Manual XrefsDatabases
HMDB0048618HMDB
59657733ChemSpider