EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196924 - TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:196924
ChEBI NameTG(14:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H90O6
Net Charge0
Average Mass847.319
Monoisotopic Mass846.67374
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,34,37,52H,4-6,9,12-15,18,21-23,27,31-33,35-36,38-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,28-25-,30-29-,37-34-/t52-/m0/s1
InChIKeyYNOODYMGZRDQPJ-YUJFEPSVSA-N
ChEBI Ontology
Outgoing Relation(s)
TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:196924) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-tetradecanoyloxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Manual XrefsDatabases
59652346ChemSpider
HMDB0042806HMDB