KEGG   COMPOUND: C06879Help
Entry
C06879                      Compound                               

Name
Cefamandole
Formula
C18H18N6O5S2
Exact mass
462.078
Mol weight
462.5027
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
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
     J01DC03 Cefamandole
      D02344  Cefamandole (USAN/INN)
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Cephems - Cephalosporins
     Cefamandole
      D02344  Cefamandole (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
34444-01-4
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C1y C    27.2792  -14.8876
            2   N1y N    27.2792  -16.2863
            3   C2y C    28.4906  -16.9855
            4   C2y C    29.7019  -16.2863
            5   C1x C    29.7019  -14.8876
            6   S2x S    28.4906  -14.1883
            7   C1y C    25.8804  -14.8876
            8   C5x C    25.8804  -16.2863
            9   N1b N    24.6692  -14.1883
            10  C5a C    23.4577  -14.8876
            11  O5a O    23.4577  -16.2863
            12  O5x O    24.6692  -16.9855
            13  C1c C    22.2464  -14.1883
            14  C1b C    30.9319  -16.9967
            15  C6a C    28.4906  -18.3841
            16  O6a O    27.2624  -19.0933
            17  O6a O    29.6850  -19.0739
            18  C8y C    21.0155  -14.8993
            19  C8x C    19.8056  -14.2008
            20  C8x C    18.5958  -14.8993
            21  C8x C    18.5958  -16.2962
            22  C8x C    19.8056  -16.9947
            23  C8x C    21.0155  -16.2962
            24  O1a O    22.2464  -12.7850
            25  S2a S    32.1482  -16.2947
            26  C8y C    33.3592  -16.9942
            27  N5x N    33.8113  -18.3159
            28  N5x N    35.2108  -18.3680
            29  N5x N    35.6263  -16.9614
            30  N4y N    34.4835  -16.1532
            31  C1a C    34.5349  -14.7614
BOND        34
            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

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