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CHEBI:222491 - (2E)-2-[(5E)-5-[2-(carboxymethylamino)-2-oxo-1-phenylethylidene]-1,3-dioxolan-4-ylidene]-2-phenylacetic acid

ChEBI IDCHEBI:222491
ChEBI Name(2E)-2-[(5E)-5-[2-(carboxymethylamino)-2-oxo-1-phenylethylidene]-1,3-dioxolan-4-ylidene]-2-phenylacetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H17NO7
Net Charge0
Average Mass395.367
Monoisotopic Mass395.10050
SMILESO=C(O)CNC(=O)/C(=C1/OCO/C1=C(/C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO7/c23-15(24)11-22-20(25)16(13-7-3-1-4-8-13)18-19(29-12-28-18)17(21(26)27)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,22,25)(H,23,24)(H,26,27)/b18-16+,19-17+
InChIKeyQUIONHAMCPPZRR-YWNVXTCZSA-N
Species of MetaboliteComponentSourceComments
Tricholoma ustale (ncbitaxon:113601) - PubMed (12125567)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2E)-2-[(5E)-5-[2-(carboxymethylamino)-2-oxo-1-phenylethylidene]-1,3-dioxolan-4-ylidene]-2-phenylacetic acid (CHEBI:222491) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2E)-2-[(5E)-5-[2-(carboxymethylamino)-2-oxo-1-phenylethylidene]-1,3-dioxolan-4-ylidene]-2-phenylacetic acid
Manual XrefsDatabases
10298262ChemSpider