clavaldehyde
AlkaPlorer ID: AK013673
Synonym: '(3R,5R)-clavulanic acid-9-aldehyde', 'clavaldehyde', '(3R,5R)-clavulanate-9-aldehyde', 'Clavaldehyde', 'Clavulanate-9-aldehyde'
IUPAC Name: (2R,3Z,5R)-7-oxo-3-(2-oxoethylidene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Structure
SMILES: O=C/C=C1\O[C@@H]2CC(=O)N2[C@H]1C(=O)O
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
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces clavuligerus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 197.146
TPSA？: 83.91000000000001
MolLogP？: -0.8890000000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|