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CHEBI:27819 - clavaldehyde
| Formula | C8H7NO5 |
| Net Charge | 0 |
| Average Mass | 197.146 |
| Monoisotopic Mass | 197.03242 |
| SMILES | [H][C@@]12CC(=O)N1[C@@H](C(=O)O)/C(=C/C=O)O2 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces clavuligerus (ncbitaxon:1901) | - | PubMed (19941870) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| clavaldehyde (CHEBI:27819) has role bacterial metabolite (CHEBI:76969) |
| 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 a β-lactam (CHEBI:35627) |
| clavaldehyde (CHEBI:27819) is conjugate acid of clavaldehyde(1−) (CHEBI:78625) |
| Incoming Relation(s) |
| 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 | Source |
|---|---|
| Clavulanate-9-aldehyde | KEGG COMPOUND |
| (3R,5R)-clavulanate-9-aldehyde | ChEBI |
| (3R,5R)-clavulanic acid-9-aldehyde | ChEBI |
| Citations |
|---|