EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172184 - TG(22:2(13Z,16Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:172184
ChEBI NameTG(22:2(13Z,16Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
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/h8,11,16-17,19-21,24-26,28-29,35,37,60H,4-7,9-10,12-15,18,22-23,27,30-34,36,38-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,37-35-/t60-/m1/s1
InChIKeyCZXMCGWHDUKJSM-YLCDSDEZSA-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)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:172184) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0054436HMDB
59663098ChemSpider