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CHEBI:170434 - TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:2n6)

ChEBI IDCHEBI:170434
ChEBI NameTG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:2n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H102O6
Net Charge0
Average Mass907.459
Monoisotopic Mass906.76764
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,32,35,40,43,56H,4-15,17-18,20,22-23,29-31,33-34,36-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,35-32-,43-40-/t56-/m1/s1
InChIKeyNPMSWRLNDFQEHQ-VVGHGYDHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:2n6) (CHEBI:170434) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
59658965ChemSpider
HMDB0051018HMDB