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CHEBI:172189 - TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3n6)

ChEBI IDCHEBI:172189
ChEBI NameTG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
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/h16,19,25-30,34,36-37,39,45,48,60H,4-15,17-18,20-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1
InChIKeyHGEMIPVNLLSWGB-MYFDCNEZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3n6) (CHEBI:172189) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
HMDB0050535HMDB
59660462ChemSpider