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CHEBI:196902 - TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))

ChEBI IDCHEBI:196902
ChEBI NameTG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H90O6
Net Charge0
Average Mass847.319
Monoisotopic Mass846.67374
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-25,27-28,31,34,40,43,52H,4-6,8-9,11-14,17,21-22,26,29-30,32-33,35-39,41-42,44-51H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,25-24-,28-27-,34-31-,43-40-/t52-/m0/s1
InChIKeyBTZBYLDYWHUFOU-YNDGGFTNSA-N
ChEBI Ontology
Outgoing Relation(s)
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) (CHEBI:196902) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0048369HMDB
59657511ChemSpider