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CHEBI:181390 - (4E)-6-Carboxy-4-[2-[2-(3,4-dihydroxyphenyl)ethylazaniumylidene]ethylidene]-2,3-dihydro-1H-pyridine-2-carboxylate

ChEBI IDCHEBI:181390
ChEBI Name(4E)-6-Carboxy-4-[2-[2-(3,4-dihydroxyphenyl)ethylazaniumylidene]ethylidene]-2,3-dihydro-1H-pyridine-2-carboxylate
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FormulaC17H18N2O6
Net Charge0
Average Mass346.339
Monoisotopic Mass346.11649
SMILESO=C(O)C1=C/C(=C/C=[NH+]/CCc2ccc(O)c(O)c2)CC(C(=O)[O-])N1
InChIInChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25)/b11-4-,18-6+
InChIKeyPDKFHZWVCCZUIF-HJZIUTPASA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(4E)-6-Carboxy-4-[2-[2-(3,4-dihydroxyphenyl)ethylazaniumylidene]ethylidene]-2,3-dihydro-1H-pyridine-2-carboxylate (CHEBI:181390) is a α-amino acid (CHEBI:33704)
IUPAC Name 
(4E)-6-carboxy-4-[2-[2-(3,4-dihydroxyphenyl)ethylazaniumylidene]ethylidene]-2,3-dihydro-1H-pyridine-2-carboxylate