KEGG   COMPOUND: C06662
Entry
C06662                      Compound                               

Name
Clavulanic acid;
Clavulanate
Formula
C8H9NO5
Exact mass
199.0481
Mol weight
199.1608
Structure
Remark
Same as: D07711
Reaction
Pathway
map00331  Clavulanic acid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map07011  Penicillins
Brite
Compounds with biological roles [BR:br08001]
 Antibiotics
  beta-Lactams
   Clavams
    C06662  Clavulanic acid
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Beta-lactamase inhibitor
    D07711  Clavulanic acid (INN)
Other DBs
CAS: 58001-44-8
PubChem: 8887
ChEBI: 48947
ChEMBL: CHEMBL777
KNApSAcK: C00018091
PDB-CCD: J01[PDBj]
3DMET: B02085
NIKKAJI: J14.640D
LinkDB
KCF data

ATOM        14
            1   C1x C    21.9830  -17.4916
            2   C5x C    21.9830  -18.8914
            3   N1y N    23.3828  -18.8914
            4   C1y C    23.3828  -17.4916
            5   C1y C    24.7125  -19.3113
            6   C2y C    25.5523  -18.1914
            7   O2x O    24.7125  -17.0716
            8   C6a C    25.2024  -20.6410
            9   O6a O    26.6021  -20.6410
            10  O6a O    24.3625  -21.7607
            11  O5x O    20.7932  -19.5912
            12  C2b C    26.9477  -18.1914
            13  C1b C    27.6609  -16.9559
            14  O1a O    29.0547  -16.9558
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     5   8 1 #Down
            10    8   9 1
            11    8  10 2
            12    2  11 2
            13    6  12 2
            14   12  13 1
            15   13  14 1

» Japanese version

KEGG   DRUG: Clavulanic acid
Entry
D07711                      Drug                                   

Name
Clavulanic acid (INN);
Clavulox (TN)
Formula
C8H9NO5
Exact mass
199.0481
Mol weight
199.1608
Structure
Simcomp
Source
Streptomyces clavuligerus [TAX:1901]
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01487  Clavam
 DG01479  beta-Lactamase inhibitor
Remark
Same as: C06662
Chemical structure group: DG01261
Product (mixture): D06485<JP/US>
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor, beta-Lactamase inhibitor
Comment
Natural product
Target
beta-lactamases
  Pathway
ko00312  beta-Lactam resistance
Biosynthesis
map00331  Clavulanic acid biosynthesis
Structure map
map07011  Penicillins
Brite
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Beta-lactamase inhibitor
    D07711  Clavulanic acid (INN)
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Beta-lactamase inhibitor
    DG01261  Clavulanic acid
Other DBs
CAS: 58001-44-8
PubChem: 51092007
ChEBI: 48947
ChEMBL: CHEMBL777
DrugBank: DB00766
PDB-CCD: J01[PDBj]
LigandBox: D07711
NIKKAJI: J14.640D
LinkDB
KCF data

ATOM        14
            1   C1x C    21.2100  -16.5200
            2   C5x C    21.2100  -17.9200
            3   N1y N    22.6100  -17.9200
            4   C1y C    22.6100  -16.5200
            5   C1y C    23.9400  -18.3400
            6   C2y C    24.7800  -17.2200
            7   O2x O    23.9400  -16.1000
            8   C6a C    24.4300  -19.6700
            9   O6a O    25.8300  -19.6700
            10  O6a O    23.5900  -20.7900
            11  O5x O    20.0200  -18.6200
            12  C2b C    26.1800  -17.2200
            13  C1b C    26.8800  -15.9600
            14  O1a O    28.2800  -15.9600
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     5   8 1 #Down
            10    8   9 1
            11    8  10 2
            12    2  11 2
            13    6  12 2
            14   12  13 1
            15   13  14 1

» Japanese version   » Back

KEGG   DRUG: Clavulanate potassium
Entry
D02370                      Drug                                   

Name
Clavulanate potassium (JP18/USP);
CVA
Formula
C8H8NO5. K
Exact mass
237.004
Mol weight
237.2511
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01487  Clavam
 DG01479  beta-Lactamase inhibitor
Remark
Chemical structure group: DG01261
Product (mixture): D06485<JP/US>
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor, beta-Lactamase inhibitor
Target
beta-lactamases
  Pathway
ko00312  beta-Lactam resistance
Structure map
map07011  Penicillins
Brite
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Beta-lactamase inhibitor
    D02370  Clavulanate potassium (JP18/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02370  Potassium clavulanate
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Beta-lactamase inhibitor
    DG01261  Clavulanic acid
Other DBs
CAS: 61177-45-5
PubChem: 7849429
ChEBI: 85264
ChEMBL: CHEMBL1003
LigandBox: D02370
NIKKAJI: J86.067K
LinkDB
KCF data

ATOM        15
            1   C1x C    12.7849  -10.4559
            2   C5x C    12.7849  -11.8603
            3   N1y N    14.1893  -11.8603
            4   C1y C    14.1893  -10.4559
            5   C1y C    15.5234  -12.2815
            6   C2y C    16.3659  -11.1580
            7   O2x O    15.5234  -10.0345
            8   C6a C    16.0149  -13.6156
            9   O6a O    17.4192  -13.6156 #-
            10  O6a O    15.1722  -14.7390
            11  O5x O    11.5912  -12.5624
            12  C2b C    17.7659  -11.1580
            13  C1b C    18.4814   -9.9184
            14  O1a O    19.8798   -9.9183
            15  Z   K    18.9700  -13.6500 #+
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     5   8 1 #Down
            10    8   9 1
            11    8  10 2
            12    2  11 2
            13    6  12 2
            14   12  13 1
            15   13  14 1

» Japanese version   » Back

DBGET integrated database retrieval system