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CHEBI:172248 - TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:172248
ChEBI NameTG(20:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
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/h16,18-19,21,25,27-28,31,33-34,39-40,42-43,60H,4-15,17,20,22-24,26,29-30,32,35-38,41,44-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,42-39-,43-40-/t60-/m1/s1
InChIKeyCAGWQYNFFAMFQX-WVAPOJSBSA-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(6Z,9Z,12Z)) (CHEBI:172248) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-icosanoyloxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
HMDB0046035HMDB
59655350ChemSpider