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CHEBI:172186 - TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))

ChEBI IDCHEBI:172186
ChEBI NameTG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
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\CCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-28,32,34,39,42,60H,4-7,9-10,12-16,18-19,22-23,29-31,33,35-38,40-41,43-59H2,1-3H3/b11-8-,20-17-,24-21-,27-25-,28-26-,34-32-,42-39-/t60-/m0/s1
InChIKeyRJLWDCUMLMQTPK-ZCMUVWAJSA-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(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)) (CHEBI:172186) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
59658099ChemSpider
HMDB0049012HMDB