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CHEBI:172281 - TG(20:1(11Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:172281
ChEBI NameTG(20:1(11Z)/20:1(11Z)/20:5(5Z,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\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/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/h7,10,16,19,25-30,34,37,43,46,60H,4-6,8-9,11-15,17-18,20-24,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,30-27-,37-34-,46-43-/t60-/m0/s1
InChIKeyFFLXJKCPLBXWOX-OGXJPDKMSA-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(20:1(11Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:172281) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-2-[(Z)-icos-11-enoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
7824388ChemSpider
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