EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172266 - TG(24:1(15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Default Structure
ChEBI IDCHEBI:172266
ChEBI NameTG(24:1(15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,24-27,32,34,38,41,46,49,60H,4-7,9-10,12-16,18-19,21-23,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b11-8-,20-17-,26-24-,27-25-,34-32-,41-38-,49-46-/t60-/m1/s1
InChIKeyNCHJONNEJYLDLM-WQQCSWAISA-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(24:1(15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:172266) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-tetradecanoyloxypropyl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
59660776ChemSpider
HMDB0051931HMDB