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CHEBI:172196 - TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))

ChEBI IDCHEBI:172196
ChEBI NameTG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(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\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31,33-34,39,42,48,51,60H,4-6,8-9,11-15,17-18,20-24,26,29-30,32,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-27-,42-39-,51-48-/t60-/m1/s1
InChIKeyORBFQWMNSQYQHZ-DTVOIORYSA-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(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) (CHEBI:172196) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-icosanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0046211HMDB
59655514ChemSpider