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CHEBI:173642 - L-Nicotianine

ChEBI IDCHEBI:173642
ChEBI NameL-Nicotianine
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SubmitterMetaboLights
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FormulaC10H12N2O4
Net Charge0
Average Mass224.216
Monoisotopic Mass224.07971
SMILESNC(CC[n+]1cccc(C(=O)[O-])c1)C(=O)O
InChIInChI=1S/C10H12N2O4/c11-8(10(15)16)3-5-12-4-1-2-7(6-12)9(13)14/h1-2,4,6,8H,3,5,11H2,(H-,13,14,15,16)
InChIKeyZPRKDLMMZXBFPH-UHFFFAOYSA-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)
L-Nicotianine (CHEBI:173642) is a α-amino acid (CHEBI:33704)
IUPAC Name 
1-(3-amino-3-carboxypropyl)pyridin-1-ium-3-carboxylate
Manual XrefsDatabases
35032863ChemSpider
HMDB0029397HMDB