EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172268 - TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)

ChEBI IDCHEBI:172268
ChEBI NameTG(22:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,37,42,45,60H,4-8,10-11,13-16,19,22-25,28,30-33,36,38-41,43-44,46-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,37-35-,45-42-/t60-/m1/s1
InChIKeyGLOXFVIMYRDOAO-BHJBELSYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:3n6) (CHEBI:172268) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] docosanoate
Manual XrefsDatabases
59656091ChemSpider
HMDB0046869HMDB