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CHEBI:15423 - clavaminic acid

ChEBI IDCHEBI:15423
ChEBI Nameclavaminic acid
Stars
Secondary ChEBI IDsCHEBI:3733, CHEBI:14003
Last Modified7 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H10N2O4
Net Charge0
Average Mass198.178
Monoisotopic Mass198.06406
SMILES[H][C@]12CC(=O)N1[C@H](C(=O)O)/C(=C/CN)O2
InChIInChI=1S/C8H10N2O4/c9-2-1-4-7(8(12)13)10-5(11)3-6(10)14-4/h1,6-7H,2-3,9H2,(H,12,13)/b4-1-/t6-,7-/m0/s1
InChIKeyGQHALSXZONOXGJ-WHJCQOFKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
clavaminic acid (CHEBI:15423) is a monocarboxylic acid (CHEBI:25384)
clavaminic acid (CHEBI:15423) is tautomer of clavaminic acid zwitterion (CHEBI:57300)
Incoming Relation(s)
clavaminic acid zwitterion (CHEBI:57300) is tautomer of clavaminic acid (CHEBI:15423)
IUPAC Name 
(2S,3Z,5S)-3-(2-aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Synonyms  Source
Clavaminic acidKEGG COMPOUND
ClavaminateKEGG COMPOUND
Manual XrefsDatabases
C06660KEGG COMPOUND
Registry NumbersSources
Beilstein:3610424Beilstein