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CHEBI:190597 - 2-(acetyloxy)-3-amino-1-[1,2-di(acetyloxy)ethyl]-3-oxopropyl acetate

ChEBI IDCHEBI:190597
ChEBI Name2-(acetyloxy)-3-amino-1-[1,2-di(acetyloxy)ethyl]-3-oxopropyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19NO9
Net Charge0
Average Mass333.293
Monoisotopic Mass333.10598
SMILESCC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(N)=O
InChIInChI=1S/C13H19NO9/c1-6(15)20-5-10(21-7(2)16)11(22-8(3)17)12(13(14)19)23-9(4)18/h10-12H,5H2,1-4H3,(H2,14,19)
InChIKeyROIBCZSXRLWQBI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
2-(acetyloxy)-3-amino-1-[1,2-di(acetyloxy)ethyl]-3-oxopropyl acetate (CHEBI:190597) has functional parent tetracarboxylic acid (CHEBI:35742)
2-(acetyloxy)-3-amino-1-[1,2-di(acetyloxy)ethyl]-3-oxopropyl acetate (CHEBI:190597) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2,3,4-triacetyloxy-5-amino-5-oxopentyl) acetate
Manual XrefsDatabases
3461505ChemSpider