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CHEBI:172292 - TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))

ChEBI IDCHEBI:172292
ChEBI NameTG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
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)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
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/h8,11,17,20-21,24,26,28,32,34,39,42,48,51,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,34-32-,42-39-,51-48-/t60-/m1/s1
InChIKeyWMDYLLRRIFWSDG-YUUVWDCISA-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(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) (CHEBI:172292) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] docosanoate
Manual XrefsDatabases
59656166ChemSpider
HMDB0046959HMDB