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CHEBI:172242 - TG(18:1(9Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:172242
ChEBI NameTG(18:1(9Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
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/h16-17,19-20,25-29,34-35,38,44,47,60H,4-15,18,21-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1
InChIKeyLJONLOVAHOERFI-DJOFENHXSA-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(18:1(9Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:172242) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
59660066ChemSpider
HMDB0050110HMDB