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CHEBI:172222 - TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:172222
ChEBI NameTG(20:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(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/h9,12,16,18-19,21,25,27-28,31,33-34,39,42,60H,4-8,10-11,13-15,17,20,22-24,26,29-30,32,35-38,40-41,43-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,33-31-,34-27-,42-39-/t60-/m1/s1
InChIKeyGFXAGILENKUCCO-BGWAMGPPSA-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(20:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)) (CHEBI:172222) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-icosanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
59655357ChemSpider
HMDB0046042HMDB