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CHEBI:170459 - TG(20:1(11Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:170459
ChEBI NameTG(20:1(11Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H102O6
Net Charge0
Average Mass907.459
Monoisotopic Mass906.76764
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/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/h7,10,16,19,21,24-28,31,34,56H,4-6,8-9,11-15,17-18,20,22-23,29-30,32-33,35-55H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-,34-31-/t56-/m1/s1
InChIKeyGPONHYXOCKFXDM-YTDLLFEOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
TG(20:1(11Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:170459) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
59660400ChemSpider
HMDB0050466HMDB