EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172226 - TG(16:1(9Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:172226
ChEBI NameTG(16:1(9Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,31,33,38,41,60H,4-15,18,22-23,29-30,32,34-37,39-40,42-59H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,41-38-/t60-/m1/s1
InChIKeyAHCVPKUCFSYOCD-YQLKLXQDSA-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(16:1(9Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:172226) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGL03011878LIPID MAPS
7824789ChemSpider