KEGG   COMPOUND: C11202
Entry
C11202                      Compound                               
Name
Cefclidin
Formula
C21H26N8O6S2
Exact mass
550.1417
Mol weight
550.6111
Structure
Other DBs
CAS: 105239-91-6
PubChem: 13383
ChEBI: 3484
NIKKAJI: J362.168E
LinkDB
KCF data

ATOM        37
            1   C1z C    35.2825  -19.0522
            2   C5a C    36.5070  -18.3532
            3   N1a N    37.7244  -19.0522
            4   O5a O    36.5070  -16.9415
            5   N1y N    27.9192  -20.4167
            6   C1y C    27.9250  -19.0052
            7   C2y C    29.1380  -21.1318
            8   C5x C    26.5077  -20.4225
            9   C1y C    26.5077  -19.0052
            10  S2x S    29.1554  -18.3016
            11  C2y C    30.3615  -20.4284
            12  C6a C    29.1321  -22.5491
            13  O5x O    25.5064  -21.4296
            14  N1b N    25.5088  -17.9974
            15  C1x C    30.3673  -19.0168
            16  C1b C    31.5860  -21.1493
            17  O6a O    30.3556  -23.2632
            18  O6a O    27.6407  -23.5480 #-
            19  C5a C    24.2541  -18.6615
            20  C2c C    23.0470  -17.8959
            21  O5a O    24.1980  -20.0800
            22  C8y C    21.7793  -18.5576
            23  N2b N    23.0232  -16.4871
            24  N5x N    20.6270  -17.7340
            25  N5x N    21.3516  -19.9175
            26  O2a O    24.2709  -15.8245
            27  C8y C    19.4798  -18.5849
            28  S2x S    19.9274  -19.9223
            29  C1a C    25.6278  -16.2421
            30  N2y N    32.8228  -20.4455 #+
            31  C1x C    34.0322  -21.1716
            32  C1x C    35.2761  -20.4677
            33  C1x C    34.0532  -18.3339
            34  C1x C    32.8304  -19.0309
            35  C1x C    34.1228  -20.1924
            36  C1x C    34.4110  -19.4006
            37  N1a N    18.1542  -18.1621
BOND        41
            1     1   2 1
            2     2   4 2
            3     2   3 1
            4    10  15 1
            5    11  16 1
            6    12  17 2
            7    12  18 1
            8    14  19 1
            9    19  20 1
            10   19  21 2
            11   20  22 1
            12   20  23 2
            13   22  24 1
            14   22  25 2
            15   23  26 1
            16   24  27 2
            17   25  28 1
            18   26  29 1
            19    8   9 1
            20   11  15 1
            21   27  28 1
            22   16  30 1
            23    5   6 1
            24    5   7 1
            25    5   8 1
            26    6   9 1
            27   30  31 1
            28   31  32 1
            29   32   1 1
            30    1  33 1
            31   33  34 1
            32   34  30 1
            33    6  10 1
            34    7  11 2
            35   30  35 1
            36    7  12 1
            37   35  36 1
            38    8  13 2
            39   36   1 1
            40    9  14 1 #Up
            41   27  37 1

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