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CHEBI:172239 - TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))

ChEBI IDCHEBI:172239
ChEBI NameTG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
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)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,34,36,39,45,48,60H,4-15,18,21-24,30-33,35,37-38,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-27-,39-36-,48-45-/t60-/m1/s1
InChIKeyIRBNJZNNUUWKLZ-IHHFEFPVSA-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)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)) (CHEBI:172239) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
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7824646ChemSpider
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