CHEBI:27819 - clavaldehyde

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ChEBI Name clavaldehyde ChEBI ID CHEBI:27819 Definition An organic heterobicyclic compound that is clavulanic acid in which the allylic alcohol group has been oxidised to the corresponding aldehyde. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:3735, CHEBI:23327 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 C8H7NO5 Net Charge 0 Average Mass 197.14490 Monoisotopic Mass 197.03242 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)/b4-1-/t6-,7-/m1/s1 InChIKey NABDJFSYSZIMMH-PBFISZAISA-N SMILES OC(=O)[C@@H]1N2[C@@H](CC2=O)O\C1=C/C=O Metabolite of Species Details Streptomyces clavuligerus (NCBI:txid1901) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing clavaldehyde (CHEBI:27819) has role bacterial metabolite (CHEBI:76969) clavaldehyde (CHEBI:27819) is a β-lactam (CHEBI:35627) clavaldehyde (CHEBI:27819) is a enal (CHEBI:51688) clavaldehyde (CHEBI:27819) is a organic heterobicyclic compound (CHEBI:27171) clavaldehyde (CHEBI:27819) is a oxo monocarboxylic acid (CHEBI:35871) clavaldehyde (CHEBI:27819) is conjugate acid of clavaldehyde(1−) (CHEBI:78625) Incoming clavaldehyde(1−) (CHEBI:78625) is conjugate base of clavaldehyde (CHEBI:27819) IUPAC Name (2R,3Z,5R)-7-oxo-3-(2-oxoethylidene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Synonyms Sources (3R,5R)-clavulanate-9-aldehyde ChEBI (3R,5R)-clavulanic acid-9-aldehyde ChEBI Clavulanate-9-aldehyde KEGG COMPOUND Manual Xrefs Databases C06661 KEGG COMPOUND CPD-9260 MetaCyc View more database links Citations Types Sources 12426344 PubMed citation Europe PMC 17279617 PubMed citation Europe PMC 19941870 PubMed citation Europe PMC Last Modified 12 August 2014