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CHEBI:171316 - TG(20:1(11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:171316
ChEBI NameTG(20:1(11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H104O6
Net Charge0
Average Mass909.475
Monoisotopic Mass908.78329
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C59H104O6/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/h21,24-28,31,34,39,42,56H,4-20,22-23,29-30,32-33,35-38,40-41,43-55H2,1-3H3/b24-21-,27-25-,28-26-,34-31-,42-39-/t56-/m1/s1
InChIKeyRAMOLJRCXADXNE-IYUJVJDXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) 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(20:1(11Z)/16:1(9Z)/20:3(5Z,8Z,11Z)) (CHEBI:171316) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
59660387ChemSpider
HMDB0050453HMDB