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CHEBI:186534 - TG(19:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]

Default Structure
ChEBI IDCHEBI:186534
ChEBI NameTG(19:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC66H110O6
Net Charge0
Average Mass999.600
Monoisotopic Mass998.83024
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\CCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-30,33,35,37,41,44,50,53,63H,4-6,8-9,11-15,18,21-24,27,31-32,34,36,38-40,42-43,45-49,51-52,54-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,37-30-,44-41-,53-50-/t63-/m1/s1
InChIKeyOKYBUULPDPMFRM-MLZYTWDASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
TG(19:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] (CHEBI:186534) 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-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
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