KEGG   COMPOUND: C08102Help
Entry
C08102                      Compound                               

Name
Cefamandole nafate
Formula
C19H17N6O6S2. Na
Exact mass
512.0549
Mol weight
512.4946
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Other DBs
CAS: 
42540-40-9
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C1y C    27.2789  -15.2374
            2   N1y N    27.2789  -16.6363
            3   C2y C    28.4903  -17.3354
            4   C2y C    29.7016  -16.6363
            5   C1x C    29.7016  -15.2374
            6   S2x S    28.4903  -14.5381
            7   C1y C    25.8801  -15.2374
            8   C5x C    25.8801  -16.6363
            9   N1b N    24.6689  -14.5381
            10  C5a C    23.4575  -15.2374
            11  O5a O    23.4575  -16.6363
            12  O5x O    24.6689  -17.3354
            13  C1c C    22.2461  -14.5381
            14  C1b C    30.9315  -17.3466
            15  C6a C    28.4903  -18.7339
            16  O6a O    27.2622  -19.4431
            17  O6a O    29.6846  -19.4236 #-
            18  C8y C    21.0152  -15.2491
            19  C8x C    19.8054  -14.5506
            20  C8x C    18.5955  -15.2491
            21  C8x C    18.5955  -16.6462
            22  C8x C    19.8054  -17.3446
            23  C8x C    21.0152  -16.6462
            24  O2a O    22.2461  -13.1348
            25  S2a S    32.1478  -16.6447
            26  C8y C    33.3588  -17.3441
            27  N5x N    33.7959  -18.6706
            28  N5x N    35.1958  -18.6685
            29  N5x N    35.6262  -17.3368
            30  N4y N    34.4926  -16.5158
            31  C7a C    21.0421  -12.4397
            32  O6a O    19.8361  -13.1361
            33  C1a C    34.4898  -15.1069
            34  Z   Na   31.0602  -19.4486 #+
BOND        36
            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   24  31 1
            35   31  32 2
            36   30  33 1

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