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CHEBI:189629 - TG(63:9)

ChEBI IDCHEBI:189629
ChEBI NameTG(63:9)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC66H110O6
Net Charge0
Average Mass999.600
Monoisotopic Mass998.83024
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,35,40,43,49,52,63H,4-6,8-9,11-15,17,20,22-24,31-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-33-,43-40-,52-49-/t63-/m1/s1
InChIKeyVNPBOUSFGBJKQE-UHDDILLSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
heart (BTO:0000562) MetaboLights (MTBLS1887)
liver (BTO:0000759) MetaboLights (MTBLS1887)
serum (BTO:0000133) MetaboLights (MTBLS1887)
ChEBI Ontology
Outgoing Relation(s)
TG(63:9) (CHEBI:189629) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
59659600ChemSpider
HMDB0051712HMDB