CHEBI:57300 - clavaminic acid zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name clavaminic acid zwitterion
ChEBI ID CHEBI:57300
Definition Zwitterionic form of clavaminic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H10N2O4
Net Charge 0
Average Mass 198.17600
Monoisotopic Mass 198.064
InChI InChI=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
InChIKey GQHALSXZONOXGJ-WHJCQOFKSA-N
SMILES [H][C@]12CC(=O)N1[C@H](C([O-])=O)\C(O2)=C\C[NH3+]
ChEBI Ontology
Outgoing clavaminic acid zwitterion (CHEBI:57300) is a amino acid zwitterion (CHEBI:35238)
clavaminic acid zwitterion (CHEBI:57300) is tautomer of clavaminic acid (CHEBI:15423)
Incoming clavaminic acid (CHEBI:15423) is tautomer of clavaminic acid zwitterion (CHEBI:57300)
IUPAC Name
(2S,3Z,5S)-3-(2-azaniumylethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
Synonym Source
clavaminate UniProt
Last Modified
11 July 2014