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CHEBI:196940 - TG(12:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]

ChEBI IDCHEBI:196940
ChEBI NameTG(12:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]
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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\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C55H90O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-30-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-32-29-24-22-20-17-14-11-8-5-2/h7,10,16-17,19-20,23-25,27-29,31,33-34,37,52H,4-6,8-9,11-15,18,21-22,26,30,32,35-36,38-51H2,1-3H3/b10-7-,19-16-,20-17-,25-23-,28-27-,29-24-,33-31-,37-34-/t52-/m1/s1
InChIKeyCDSUZIYUMQDVAH-VTSVALCKSA-N
ChEBI Ontology
Outgoing Relation(s)
TG(12:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] (CHEBI:196940) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-dodecanoyloxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
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