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

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ChEBI Name (2E)-2-[(5E)-5-[2-(carboxymethylamino)-2-oxo-1-phenylethylidene]-1,3-dioxolan-4-ylidene]-2-phenylacetic acid
ChEBI ID CHEBI:222491
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H17NO7
Net Charge 0
Average Mass 395.367
Monoisotopic Mass 395.10050
InChI InChI=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+
InChIKey QUIONHAMCPPZRR-YWNVXTCZSA-N
SMILES O=C(O)/C(/C1=CC=CC=C1)=C\2/OCO/C2=C(\C3=CC=CC=C3)/C(=O)NCC(=O)O
Metabolite of Species Details
Tricholoma ustale (NCBI:txid113601) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Xref Database
10298262 ChemSpider
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