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CHEBI:172302 - TG(24:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:172302
ChEBI NameTG(24:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
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\C/C=C\CCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,32,34,38,41,46,49,60H,4-7,9-10,12-14,16,19,21-24,26,28-31,33,35-37,39-40,42-45,47-48,50-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,34-32-,41-38-,49-46-/t60-/m1/s1
InChIKeyZULLNJQUQUSRNL-WADUYCHISA-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(24:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:172302) 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-[(Z)-tetradec-9-enoyl]oxypropyl] tetracosanoate
Manual XrefsDatabases
59656392ChemSpider
HMDB0047195HMDB