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CHEBI:172868 - TG(18:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:172868
ChEBI NameTG(18:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H110O6
Net Charge0
Average Mass987.589
Monoisotopic Mass986.83024
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)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,40,43,49,52,62H,4-6,8-9,11-15,18,21-24,27,30-31,33,35-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,43-40-,52-49-/t62-/m1/s1
InChIKeyNLJZNKBSOHSFSH-XYYUJQJCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
TG(18:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:172868) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-octadecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGL03012246LIPID MAPS
7825156ChemSpider