EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172155 - TG(22:2(13Z,16Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:172155
ChEBI NameTG(22:2(13Z,16Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
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)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,34,40,43,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1
InChIKeyJXEGKSFQVTWBBK-OSIFNLFLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
TG(22:2(13Z,16Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:172155) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(Z)-icos-11-enoyl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGL03016603LIPID MAPS
59663114ChemSpider
HMDB0054455HMDB