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CHEBI:27483 - betalamic acid

ChEBI IDCHEBI:27483
ChEBI Namebetalamic acid
Stars
Secondary ChEBI IDsCHEBI:3076, CHEBI:22862
Last Modified28 July 2014
DownloadsMolfile
FormulaC9H9NO5
Net Charge0
Average Mass211.173
Monoisotopic Mass211.04807
SMILESO=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1
InChIInChI=1S/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1-/t7-/m0/s1
InChIKeyYQDKULBMDMPFLH-FSRBREEPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
betalamic acid (CHEBI:27483) is a betalain (CHEBI:22861)
betalamic acid (CHEBI:27483) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(2S,4E)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid
Synonyms  Source
Betalamic acidKEGG COMPOUND
(S-(E))-1,2,3,4-tetrahydro-4-(oxoethylidene)-2,6-pyridinedicarboxylic acidChemIDplus
Manual XrefsDatabases
C08538KEGG COMPOUND
C00001582KNApSAcK
Registry NumbersSources
Beilstein:480821Beilstein
CAS:18766-66-0KEGG COMPOUND
CAS:18766-66-0ChemIDplus