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CHEBI:172192 - TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:3n6)

ChEBI IDCHEBI:172192
ChEBI NameTG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:3n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCC/C=C\C/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/h17-18,20-21,25-29,34-35,37,42,45,60H,4-16,19,22-24,30-33,36,38-41,43-44,46-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,45-42-/t60-/m1/s1
InChIKeyZDGPSLXDSWGKIC-YEZHDJTHSA-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(22:1(13Z)/18:3(6Z,9Z,12Z)/20:3n6) (CHEBI:172192) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
59659577ChemSpider
HMDB0051685HMDB