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CHEBI:196945 - TG(17:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]

ChEBI IDCHEBI:196945
ChEBI NameTG(17:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
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SubmitterMetaboLights
DownloadsMolfile
FormulaC64H98O6
Net Charge0
Average Mass963.482
Monoisotopic Mass962.73634
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)CCCCCCC/C=C\CCCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C64H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,24-29,32-35,39-40,42-43,48-49,51-52,61H,4-6,9,12-15,18,21-23,30-31,36-38,41,44-47,50,53-60H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49-/t61-/m1/s1
InChIKeyHPNLVDNBVGRVBK-ONWWWVMBSA-N
ChEBI Ontology
Outgoing Relation(s)
TG(17:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] (CHEBI:196945) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-heptadec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
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