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CHEBI:196442 - TG(21:0/22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]

Default Structure
ChEBI IDCHEBI:196442
ChEBI NameTG(21:0/22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC68H114O6
Net Charge0
Average Mass1027.654
Monoisotopic Mass1026.86154
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)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C68H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,34-35,37-38,43,46,52,55,65H,4-6,8-9,11-15,18,21-24,27,30-33,36,39-42,44-45,47-51,53-54,56-64H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,37-34-,38-35-,46-43-,55-52-/t65-/m1/s1
InChIKeyMBDXIWSYAIKCNG-PEKVNHRUSA-N
ChEBI Ontology
Outgoing Relation(s)
TG(21:0/22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] (CHEBI:196442) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-henicosanoyloxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
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