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CHEBI:171169 - TG(16:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:171169
ChEBI NameTG(16:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H96O6
Net Charge0
Average Mass853.367
Monoisotopic Mass852.72069
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20-21,23-26,28,31,36,39,52H,4-19,22,27,29-30,32-35,37-38,40-51H2,1-3H3/b23-20-,24-21-,26-25-,31-28-,39-36-/t52-/m0/s1
InChIKeyLUNKFQMIUALALF-SSXZHBJOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;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)/16:1(9Z)/20:3(5Z,8Z,11Z)) (CHEBI:171169) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
HMDB0048593HMDB
59657711ChemSpider