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CHEBI:172180 - TG(18:1(11Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:172180
ChEBI NameTG(18:1(11Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)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/h8,11,16-17,19-21,24-26,28-29,35,38,60H,4-7,9-10,12-15,18,22-23,27,30-34,36-37,39-59H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,29-26-,38-35-/t60-/m0/s1
InChIKeyXBPAJTNSPXPLFO-VLMUHDQCSA-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(11Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:172180) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
59658562ChemSpider
HMDB0049508HMDB