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(Q75053077)
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English
Clavaminic acid
bioactive natural product
(2S,3Z,5S)-3-(2-aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(2-Aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
(2S,3Z)-3-(2-aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
198.0640568
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
clavaminate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₈H₁₀N₂O₄
0 references
canonical SMILES
O=C(O)C1C(OC2N1C(=O)C2)=CCN
0 references
isomeric SMILES
C1[C@H]2N(C1=O)[C@@H](/C(=C\CN)/O2)C(=O)O
0 references
found in taxon
Streptomyces clavuligerus
2 references
stated in
Clavulanic acid, a novel β-lactam isolated from Streptomyces clavuligerus; X-ray crystal structure analysis
stated in
Purification and characterization of clavaminate synthase from Streptomyces clavuligerus: an unusual oxidative enzyme in natural product biosynthesis
Identifiers
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
0 references
InChIKey
GQHALSXZONOXGJ-WHJCQOFKSA-N
0 references
PubChem CID
5460408
2 references
stated in
PubChemLite tier0 and tier1
matched by identifier from
InChIKey
InChIKey
GQHALSXZONOXGJ-WHJCQOFKSA-N
25244090
1 reference
matched by identifier from
InChIKey
InChIKey
GQHALSXZONOXGJ-WHJCQOFKSA-N
ChEBI ID
15423
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
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
57300
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
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
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