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CHEBI:170666 - TG(14:0/20:3(5Z,8Z,11Z)/16:0)

ChEBI IDCHEBI:170666
ChEBI NameTG(14:0/20:3(5Z,8Z,11Z)/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H96O6
Net Charge0
Average Mass829.345
Monoisotopic Mass828.72069
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h24-25,27,29,35,38,50H,4-23,26,28,30-34,36-37,39-49H2,1-3H3/b25-24-,29-27-,38-35-/t50-/m0/s1
InChIKeyRNZCACXSTQQFRS-QIBYTZNASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) 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(14:0/20:3(5Z,8Z,11Z)/16:0) (CHEBI:170666) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-hexadecanoyloxy-3-tetradecanoyloxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
HMDB0042423HMDB
59651975ChemSpider