CHEBI:78625 - clavaldehyde(1−)

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ChEBI Name clavaldehyde(1−) ChEBI ID CHEBI:78625 ChEBI ASCII Name clavaldehyde(1-) Definition A monocarboxylic acid anion that is the conjugate base of clavaldehyde, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anne Morgat Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H6NO5 Net Charge -1 Average Mass 196.13750 Monoisotopic Mass 196.02515 InChI InChI=1S/C8H7NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1-2,6-7H,3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1 InChIKey NABDJFSYSZIMMH-PBFISZAISA-M SMILES [O-]C(=O)[C@@H]1N2[C@@H](CC2=O)O\C1=C/C=O Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing clavaldehyde(1−) (CHEBI:78625) has role bacterial metabolite (CHEBI:76969) clavaldehyde(1−) (CHEBI:78625) is a monocarboxylic acid anion (CHEBI:35757) clavaldehyde(1−) (CHEBI:78625) is conjugate base of clavaldehyde (CHEBI:27819) Incoming clavaldehyde (CHEBI:27819) is conjugate acid of clavaldehyde(1−) (CHEBI:78625) IUPAC Name (2R,3Z,5R)-7-oxo-3-(2-oxoethylidene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate Synonyms Sources (3R,5R)-clavaldehyde(1−) SUBMITTER (3R,5R)-clavulanate-9-aldehyde UniProt Manual Xref Database CPD-9260 MetaCyc View more database links Last Modified 12 August 2014