KEGG   COMPOUND: C13143
Entry
C13143                      Compound                               
Name
Ceftiofur sodium
Formula
C19H16N5O7S3. Na
Exact mass
545.011
Mol weight
545.5444
Structure
Remark
Same as: D01682
Brite
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01714  Cephalosporin skeleton group
    DG01488  Cephem
     DG01434  Ceftiofur
      D01682  Ceftiofur sodium
  DG01804  Oxyimino beta-lactam
   DG01434  Ceftiofur
    D01682  Ceftiofur sodium
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Other cephalosporin
    D01682  Ceftiofur sodium (JAN/USAN)
Other DBs
CAS: 104010-37-9
PubChem: 585207
ChEBI: 31383
NIKKAJI: J627.931G
LinkDB
KCF data

ATOM        35
            1   C1y C    24.9537  -19.5120
            2   N1y N    24.9537  -20.9041
            3   C2y C    26.1594  -21.6001
            4   C2y C    27.3650  -20.9041
            5   C1x C    27.3650  -19.5120
            6   S2x S    26.1594  -18.8159
            7   C1y C    23.5614  -19.5120
            8   C5x C    23.5614  -20.9041
            9   N1b N    22.3560  -18.8159
            10  C5a C    21.1503  -19.5120
            11  O5a O    21.1503  -20.9041
            12  O5x O    22.3560  -21.6001
            13  C2c C    19.9446  -18.8159
            14  C1b C    28.5892  -21.6113
            15  C8y C    18.7197  -19.5235
            16  C8x C    17.5869  -18.6913
            17  S2x S    16.4406  -19.5101
            18  C8y C    16.8651  -20.9232
            19  N5x N    18.2735  -20.9347
            20  N2b N    19.9445  -17.4024
            21  C6a C    26.1594  -23.0090
            22  O6a O    27.3757  -23.7112 #-
            23  O6a O    24.9448  -23.7104
            24  S2a S    29.7630  -20.9343
            25  C5a C    30.9662  -21.6297
            26  C8y C    32.1514  -20.9463
            27  C8x C    32.1514  -19.5454
            28  O2x O    33.4836  -21.3792
            29  C8x C    34.3069  -20.2458
            30  C8x C    33.4836  -19.1126
            31  N1a N    16.0597  -22.0540
            32  O5a O    30.9659  -23.0147
            33  O2a O    21.1487  -16.7072
            34  C1a C    21.1487  -15.3072
            35  Z   Na   28.8394  -23.6595 #+
BOND        37
            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   13  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   15  19 1
            22   13  20 2
            23    3  21 1
            24   21  22 1
            25   21  23 2
            26   14  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 2
            30   26  28 1
            31   28  29 1
            32   29  30 2
            33   27  30 1
            34   18  31 1
            35   25  32 2
            36   20  33 1
            37   33  34 1

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