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CHEBI:170432 - TG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:2(9Z,12Z))

ChEBI IDCHEBI:170432
ChEBI NameTG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H102O6
Net Charge0
Average Mass907.459
Monoisotopic Mass906.76764
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,30,32,34,40,43,56H,4-16,18-19,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-,34-32-,43-40-/t56-/m1/s1
InChIKeyYEUXQYMIWYSWMT-AJWMTTJHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) 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(20:3(5Z,8Z,11Z)/18:1(11Z)/18:2(9Z,12Z)) (CHEBI:170432) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
59658980ChemSpider
HMDB0051034HMDB