KEGG   COMPOUND: C06882Help
Entry
C06882                      Compound                               

Name
Cefonicid
Formula
C18H18N6O8S3
Exact mass
542.0348
Mol weight
542.5659
Structure
Mol fileKCF fileDB search
Remark
Same as: D07644
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
     J01DC06 Cefonicid
      D07644  Cefonicid (INN)
BRITE hierarchy
Other DBs
CAS: 61270-58-4
PubChem: 9099
ChEBI: 3491
ChEMBL: CHEMBL1601
NIKKAJI: J18.085H
LinkDB All DBs
KCF data Show

ATOM        35
            1   C1y C    25.8855  -14.8910
            2   N1y N    25.8855  -16.2900
            3   C2y C    27.0971  -16.9894
            4   C2y C    28.3088  -16.2900
            5   C1x C    28.3088  -14.8910
            6   S2x S    27.0971  -14.1915
            7   C1y C    24.4864  -14.8910
            8   C5x C    24.4864  -16.2900
            9   N1b N    23.2750  -14.1915
            10  C5a C    22.0632  -14.8910
            11  O5a O    22.0632  -16.2900
            12  O5x O    23.2750  -16.9894
            13  C1c C    20.8516  -14.1915
            14  C1b C    29.5390  -17.0005
            15  C6a C    27.0971  -18.3882
            16  O6a O    25.8687  -19.0977
            17  O6a O    28.2918  -19.0782
            18  C8y C    19.6205  -14.9026
            19  C8x C    18.4103  -14.2039
            20  C8x C    17.2002  -14.9026
            21  C8x C    17.2002  -16.2998
            22  C8x C    18.4103  -16.9986
            23  C8x C    19.6205  -16.2998
            24  O1a O    20.8516  -12.7878
            25  S2a S    30.7555  -16.2984
            26  C8y C    31.9669  -16.9981
            27  N5x N    32.3908  -18.2438
            28  N5x N    33.7904  -18.2742
            29  N5x N    34.2520  -16.9525
            30  N4y N    33.1375  -16.1052
            31  C1b C    33.1362  -14.6947
            32  S4a S    34.3331  -14.0023
            33  O1d O    35.5460  -13.3021
            34  O1d O    33.6283  -12.7824
            35  O1d O    35.0294  -15.2074
BOND        38
            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   13  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   13  24 1 #Up
            27   14  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   26  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   32  34 2
            38   32  35 2

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