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CHEBI:172238 - TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))

ChEBI IDCHEBI:172238
ChEBI NameTG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
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/h9,12,16,18-19,21,25-29,34,42,45,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-41,43-44,46-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,45-42-/t60-/m0/s1
InChIKeyMQMJKZRSUJHOFT-IERKYSCGSA-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(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) (CHEBI:172238) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-[(Z)-icos-11-enoyl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
59660676ChemSpider
HMDB0050765HMDB