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CHEBI:172276 - TG(20:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:172276
ChEBI NameTG(20:1(11Z)/18:1(11Z)/22:5(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\CCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)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/h7,10,16,19,21,24-26,28-29,31,33,38,41,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,41-38-/t60-/m0/s1
InChIKeyFUFWSZPYQLEYSJ-GOQTZBNISA-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(20:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:172276) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(Z)-icos-11-enoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Manual XrefsDatabases
HMDB0050487HMDB
59660420ChemSpider