EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:170683 - TG(14:0/18:2(9Z,12Z)/18:1(9Z))

ChEBI IDCHEBI:170683
ChEBI NameTG(14:0/18:2(9Z,12Z)/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H96O6
Net Charge0
Average Mass829.345
Monoisotopic Mass828.72069
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,24-27,50H,4-16,18-19,21-23,28-49H2,1-3H3/b20-17-,26-24-,27-25-/t50-/m0/s1
InChIKeySSNIXBLJTLNQQJ-VSMMGTNQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;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(14:0/18:2(9Z,12Z)/18:1(9Z)) (CHEBI:170683) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetradecanoyloxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
HMDB0042521HMDB
59652070ChemSpider