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CHEBI:172212 - TG(20:3(5Z,8Z,11Z)/20:0/20:4(8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:172212
ChEBI NameTG(20:3(5Z,8Z,11Z)/20:0/20:4(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)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,34-35,37-38,44,47,60H,4-6,8-9,11-15,17-18,20-24,27,30-33,36,39-43,45-46,48-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,37-34-,38-35-,47-44-/t60-/m1/s1
InChIKeyAZKIVKXZRXOULI-DWNWHCMOSA-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(20:3(5Z,8Z,11Z)/20:0/20:4(8Z,11Z,14Z,17Z)) (CHEBI:172212) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropan-2-yl] icosanoate
Manual XrefsDatabases
59658905ChemSpider
HMDB0050954HMDB