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CHEBI:219273 - Pestalotiopamide E

Default Structure
ChEBI IDCHEBI:219273
ChEBI NamePestalotiopamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H17NO5
Net Charge0
Average Mass243.259
Monoisotopic Mass243.11067
SMILESCC(=O)OCC/C(C)=C\C(=O)NCCC(=O)O
InChIInChI=1S/C11H17NO5/c1-8(4-6-17-9(2)13)7-10(14)12-5-3-11(15)16/h7H,3-6H2,1-2H3,(H,12,14)(H,15,16)/b8-7-
InChIKeyBTSIVTZQXXCWQD-FPLPWBNLSA-N
Species of MetaboliteComponentSourceComments
Aureobasidium pullulans (ncbitaxon:5580) - DOI (10.1016/j.phytol.2016.09.006)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopamide E (CHEBI:219273) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
3-[[(Z)-5-acetyloxy-3-methylpent-2-enoyl]amino]propanoic acid
Manual XrefsDatabases
78435879ChemSpider