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CHEBI:172183 - TG(22:1(13Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:172183
ChEBI NameTG(22:1(13Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
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)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31,33,38,40,46,49,60H,4-6,8-9,11-15,17-18,20-24,29-30,32,34-37,39,41-45,47-48,50-59H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,33-31-,40-38-,49-46-/t60-/m1/s1
InChIKeyIDNLOXNXWNWCBT-MHDHSUAHSA-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(22:1(13Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:172183) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-hexadecanoyloxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
59659380ChemSpider
HMDB0051457HMDB