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CHEBI:170372 - TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:2(13Z,16Z))

ChEBI IDCHEBI:170372
ChEBI NameTG(20:4(5Z,8Z,11Z,14Z)/14:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H102O6
Net Charge0
Average Mass907.459
Monoisotopic Mass906.76764
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,32,34,39,42,56H,4-15,18,21-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,34-32-,42-39-/t56-/m0/s1
InChIKeyCTGLLIIVKWUHNE-OMVDHHTOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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(20:4(5Z,8Z,11Z,14Z)/14:0/22:2(13Z,16Z)) (CHEBI:170372) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-2-tetradecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
59662671ChemSpider
HMDB0054013HMDB