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CHEBI:170080 - TG(14:1(9Z)/19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]

ChEBI IDCHEBI:170080
ChEBI NameTG(14:1(9Z)/19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H96O6
Net Charge0
Average Mass889.400
Monoisotopic Mass888.72069
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\CCCC)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChIInChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24,26-27,29-31,33,36,42,45,55H,4-6,8-9,11-14,17,20-23,25,28,32,34-35,37-41,43-44,46-54H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,30-29-,31-27-,36-33-,45-42-/t55-/m1/s1
InChIKeyRLTMCUUEUPMJKM-LPUCONEHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
TG(14:1(9Z)/19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] (CHEBI:170080) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-[(Z)-nonadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
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