KEGG   COMPOUND: C06886
Entry
C06886                      Compound                               
Name
Cefotetan
Formula
C17H17N7O8S4
Exact mass
575.0021
Mol weight
575.619
Structure
Remark
Same as: D00260
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
     J01DC05 Cefotetan
      D00260  Cefotetan (JP18/USP/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG00561  Cefotetan
      D00260  Cefotetan
  DG01775  Second-generation cephalosporin
   DG00561  Cefotetan
    D00260  Cefotetan
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Second-generation cephalosporin
    D00260  Cefotetan (JP18/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00260  Cefotetan
Other DBs
CAS: 69712-56-7
PubChem: 9103
ChEBI: 3499
NIKKAJI: J34.283A
KCF data

ATOM        36
            1   C1y C    28.1355  -16.1360
            2   N1y N    28.1355  -17.5059
            3   C2y C    29.3219  -18.1907
            4   C2y C    30.5083  -17.5059
            5   C1x C    30.5083  -16.1360
            6   S2x S    29.3219  -15.4510
            7   C1z C    26.7655  -16.1360
            8   C5x C    26.7655  -17.5059
            9   N1b N    25.5793  -15.4510
            10  C5a C    24.3929  -16.1360
            11  O5a O    24.3929  -17.5059
            12  O5x O    25.5793  -18.1907
            13  C1y C    23.2066  -15.4510
            14  C1b C    31.7127  -18.2017
            15  C6a C    29.3219  -19.5605
            16  O6a O    28.1190  -20.2551
            17  O6a O    30.4916  -20.2358
            18  S2a S    32.9038  -17.5141
            19  C8y C    34.0899  -18.1992
            20  N5x N    34.5552  -19.4865
            21  N5x N    35.9254  -19.4447
            22  N5x N    36.3095  -18.1289
            23  N4y N    35.1764  -17.3573
            24  O2a O    26.7655  -13.9436
            25  C1a C    27.9493  -13.2601
            26  C1a C    35.1764  -15.9622
            27  S2x S    22.8474  -14.1101
            28  C2y C    21.5065  -14.4693
            29  S2x S    21.8657  -15.8102
            30  C2c C    20.2771  -13.7590
            31  C5a C    19.0656  -14.4579
            32  C6a C    20.2777  -12.3790
            33  N1a N    17.8878  -13.7775
            34  O5a O    19.0647  -15.8762
            35  O6a O    21.4976  -11.6755
            36  O6a O    19.0743  -11.6836
BOND        39
            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   14  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   19  23 1
            26    7  24 1 #Down
            27   24  25 1
            28   23  26 1
            29   13  27 1
            30   27  28 1
            31   28  29 1
            32   13  29 1
            33   28  30 2
            34   30  31 1
            35   30  32 1
            36   31  33 1
            37   31  34 2
            38   32  35 1
            39   32  36 2

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