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CHEBI:169219 - TG(18:2(9Z,12Z)/14:0/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:169219
ChEBI NameTG(18:2(9Z,12Z)/14:0/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H92O6
Net Charge0
Average Mass825.313
Monoisotopic Mass824.68939
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,50H,4-6,8-9,11-15,18,21-23,28-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-/t50-/m1/s1
InChIKeyXZZYDJMYMONZAX-JBAUXDQQSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
TG(18:2(9Z,12Z)/14:0/18:3(9Z,12Z,15Z)) (CHEBI:169219) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-tetradecanoyloxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
HMDB0010471HMDB
59673932ChemSpider