KEGG   COMPOUND: C06887
Entry
C06887                      Compound                               
Name
Cefoxitin
Formula
C16H17N3O7S2
Exact mass
427.0508
Mol weight
427.4521
Structure
Remark
Same as: D02345
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01D OTHER BETA-LACTAM ANTIBACTERIALS
    J01DC Second-generation cephalosporins
     J01DC01 Cefoxitin
      D02345  Cefoxitin (USAN/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00557  Cefoxitin
      D02345  Cefoxitin
  DG01775  Second-generation cephalosporin
   DG00557  Cefoxitin
    D02345  Cefoxitin
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Second-generation cephalosporin
    D02345  Cefoxitin (USAN/INN)
Other DBs
CAS: 35607-66-0
PubChem: 9104
ChEBI: 209807
PDB-CCD: CFX[PDBj]
NIKKAJI: J17.441F
KCF data

ATOM        28
            1   C1y C    27.7461  -15.3839
            2   N1y N    27.7461  -16.7490
            3   C2y C    28.9283  -17.4313
            4   C2y C    30.1104  -16.7490
            5   C1x C    30.1104  -15.3839
            6   S2x S    28.9283  -14.7015
            7   C1z C    26.3810  -15.3839
            8   C5x C    26.3810  -16.7490
            9   N1b N    25.1991  -14.7015
            10  C5a C    24.0170  -15.3839
            11  O5a O    24.0170  -16.7490
            12  O5x O    25.1991  -17.4313
            13  C1b C    22.8349  -14.7015
            14  C1b C    31.3106  -17.4423
            15  C6a C    28.9283  -18.7961
            16  O6a O    27.7297  -19.4882
            17  O6a O    30.0937  -19.4691
            18  O2a O    26.3810  -13.1996
            19  C1a C    27.5606  -12.5184
            20  O7a O    32.4982  -16.7572
            21  C7a C    33.6989  -17.4511
            22  N1a N    34.8805  -16.7695
            23  O6a O    33.6986  -18.8617
            24  C8y C    21.6426  -15.3894
            25  S2x S    20.5184  -14.5554
            26  C8x C    19.3798  -15.3651
            27  C8x C    19.7979  -16.6982
            28  C8x C    21.1950  -16.7125
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16    3  15 1
            17   15  16 2
            18   15  17 1
            19    7  18 1 #Down
            20   18  19 1
            21   14  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 2
            25   13  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   24  28 2

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