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CHEBI:172161 - TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))

ChEBI IDCHEBI:172161
ChEBI NameTG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
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)O[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
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/h7,10,16,19,21,24-26,28-29,31,33,39,42,60H,4-6,8-9,11-15,17-18,20,22-23,27,30,32,34-38,40-41,43-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,42-39-/t60-/m0/s1
InChIKeySTYPVONFSDGUHW-IFVPRQCISA-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(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) (CHEBI:172161) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(Z)-icos-11-enoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Manual XrefsDatabases
HMDB0049641HMDB
59658688ChemSpider