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CHEBI:173239 - TAG(18:3n3/14:0/22:6n3)

ChEBI IDCHEBI:173239
ChEBI NameTAG(18:3n3/14:0/22:6n3)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H92O6
Net Charge0
Average Mass873.357
Monoisotopic Mass872.68939
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-26,28-30,33,36,41,44,54H,4-6,9,12-15,18,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m0/s1
InChIKeyFBRYKXDHYCSSKA-WNDHHCJCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
TAG(18:3n3/14:0/22:6n3) (CHEBI:173239) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-tetradecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0010498HMDB
59683946ChemSpider