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CHEBI:171156 - TG(16:1(9Z)/20:3(5Z,8Z,11Z)/16:1(9Z))

ChEBI IDCHEBI:171156
ChEBI NameTG(16:1(9Z)/20:3(5Z,8Z,11Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H96O6
Net Charge0
Average Mass853.367
Monoisotopic Mass852.72069
SMILESCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20-21,23-26,28,31,37,40,52H,4-19,22,27,29-30,32-36,38-39,41-51H2,1-3H3/b23-20-,24-21-,26-25-,31-28-,40-37-
InChIKeyAUMXQCVFWSNALF-PMEIDYDXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) 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)/20:3(5Z,8Z,11Z)/16:1(9Z)) (CHEBI:171156) is a triglyceride (CHEBI:17855)
IUPAC Name 
1,3-bis[[(Z)-hexadec-9-enoyl]oxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
HMDB0048677HMDB
30777885ChemSpider