KEGG   COMPOUND: C06869Help
Entry
C06869                      Compound                               

Name
Carbenicillin
Formula
C17H18N2O6S
Exact mass
378.0886
Mol weight
378.3996
Structure
Mol fileKCF fileDB search
Remark
Same as: D07614
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CA Penicillins with extended spectrum
     J01CA03 Carbenicillin
      D07614  Carbenicillin (INN)
Prodrugs [br08324.html]
 D07614
BRITE hierarchy
Other DBs
CAS: 4697-36-3
PubChem: 9086
ChEBI: 3393
ChEMBL: CHEMBL1214
NIKKAJI: J3.066J
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1y C    30.7376  -16.2564
            2   C5x C    30.7376  -17.6604
            3   N1y N    32.1417  -17.6604
            4   C1y C    32.1417  -16.2564
            5   C1y C    33.4771  -18.0944
            6   C1z C    34.3022  -16.9585
            7   S2x S    33.4771  -15.8224
            8   C1a C    35.2950  -17.9513
            9   C1a C    35.2950  -15.9656
            10  C6a C    33.9072  -19.4179
            11  O6a O    35.3111  -19.4179
            12  O6a O    33.0792  -20.5573
            13  N1b N    29.5245  -15.5561
            14  C5a C    28.3114  -16.2564
            15  O5x O    29.5245  -18.3608
            16  C1c C    27.0816  -15.5464
            17  C6a C    25.8826  -16.2388
            18  O5a O    28.3113  -17.6507
            19  O6a O    24.6962  -15.5538
            20  O6a O    25.8824  -17.6505
            21  C8y C    27.0816  -14.1490
            22  C8x C    28.3101  -13.4398
            23  C8x C    28.3100  -12.0389
            24  C8x C    27.0968  -11.3387
            25  C8x C    25.8684  -12.0480
            26  C8x C    25.8685  -13.4488
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 1
            18   16  17 1
            19   14  18 2
            20   17  19 1
            21   17  20 2
            22   16  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   21  26 1

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