KEGG   COMPOUND: C11170Help
Entry
C11170                      Compound                               

Name
Sulbenicillin
Formula
C16H18N2O7S2
Exact mass
414.0555
Mol weight
414.4533
Structure
Mol fileKCF fileDB search
Remark
Same as: D08534
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
     J01CA16 Sulbenicillin
      D08534  Sulbenicillin (INN)
BRITE hierarchy
Other DBs
CAS: 41744-40-5
PubChem: 13352
ChEBI: 9322
ChEMBL: CHEMBL1256734 CHEMBL3306853
NIKKAJI: J16.405D
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    11.6634   -9.1334
            2   C5x C    11.6634  -10.5197
            3   N1y N    13.0497  -10.5197
            4   C1y C    13.0497   -9.1334
            5   C1y C    14.3667  -10.9355
            6   C1z C    15.1983   -9.8266
            7   S2x S    14.3667   -8.7176
            8   C1a C    16.1688  -10.7969
            9   C1a C    16.1688   -8.8561
            10  C6a C    14.8518  -12.3218
            11  O6a O    16.2380  -12.3218
            12  O6a O    14.0200  -13.4309
            13  N1b N    10.4851   -8.4402
            14  C5a C     9.3068   -9.1334
            15  O5x O    10.4851  -11.2129
            16  O5a O     9.3068  -10.5197
            17  C1c C     8.0592   -8.4402
            18  S4a S     6.8466   -9.1672
            19  C8y C     8.0355   -7.0150
            20  C8x C     9.2792   -6.2689
            21  C8x C     9.2555   -4.8464
            22  C8x C     8.0117   -4.1558
            23  C8x C     6.7679   -4.9018
            24  C8x C     6.7917   -6.3244
            25  O1d O     6.8466  -10.5680
            26  O1d O     6.8466   -7.7664
            27  O1d O     5.4458   -9.1672
BOND        29
            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 2
            18   14  17 1
            19   17  18 1
            20   17  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   18  25 2
            28   18  26 2
            29   18  27 1

» Japanese version

DBGET integrated database retrieval system