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CHEBI:172153 - TG(18:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:172153
ChEBI NameTG(18:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,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\C/C=C\CCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
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/h16,19,25-29,31,33-34,38,41,47,50,60H,4-15,17-18,20-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1
InChIKeyPSUBFTTYDUDTOP-PHBFQLJFSA-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(18:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:172153) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(Z)-icos-11-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual XrefsDatabases
HMDB0049933HMDB
59659903ChemSpider