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CHEBI:172867 - TG(20:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:172867
ChEBI NameTG(20:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H106O6
Net Charge0
Average Mass959.535
Monoisotopic Mass958.79894
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)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C63H106O6/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/h7,10,16,18-19,21,25,27-28,31,33-34,38,41,47,50,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1
InChIKeyJIWBKNDEFSQJBT-OAQBWKPISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
TG(20:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:172867) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-icosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
59655213ChemSpider
HMDB0045891HMDB