KEGG   DRUG: Suncillin sodium
Entry
D05974                      Drug                                   
Name
Suncillin sodium (USAN)
Formula
C16H17N3O7S2. 2Na
Exact mass
473.0303
Mol weight
473.4316
Structure
Simcomp
Class
Antibacterial
 DG01710  beta-Lactam antibiotic
  DG01713  Penicillin skeleton group
   DG01480  Penicillin
Efficacy
Antibacterial, Cell wall biosynthesis inhibitor
Comment
beta-Lactam, penicillin, Semisynthetic penicillin
Target
penicillin binding protein
  Pathway
ko00550  Peptidoglycan biosynthesis
Interaction
Brite
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     D05974  Suncillin sodium
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Other penicillin
    D05974  Suncillin sodium (USAN)
Other DBs
CAS: 23444-86-2
PubChem: 47207632
LigandBox: D05974
LinkDB
KCF data

ATOM        30
            1   C1y C    20.1254  -16.4597
            2   C5x C    20.1254  -17.8586
            3   N1y N    21.5243  -17.8586
            4   C1y C    21.5243  -16.4597
            5   C1y C    22.8535  -18.2783
            6   C1z C    23.6927  -17.1593
            7   S2x S    22.8535  -16.0402
            8   C1a C    24.6719  -18.1384
            9   C1a C    24.6719  -16.1799
            10  C6a C    23.3430  -19.6771
            11  O6a O    24.7418  -19.6771 #-
            12  O6a O    22.5037  -20.7962
            13  N1b N    18.9365  -15.7604
            14  C5a C    17.7475  -16.4597
            15  O5x O    18.9365  -18.5581
            16  O5a O    17.7475  -17.8586
            17  C1c C    16.4885  -15.7604
            18  C8y C    16.4885  -14.3614
            19  C8x C    17.7475  -13.6620
            20  C8x C    17.7475  -12.2631
            21  C8x C    16.4885  -11.5636
            22  C8x C    15.2994  -12.2631
            23  C8x C    15.2994  -13.6620
            24  N1b N    15.2994  -16.4597
            25  S4a S    14.1104  -15.7604
            26  O1d O    12.8983  -15.0606 #-
            27  O1d O    14.8260  -14.5318
            28  O1d O    13.4172  -16.9503
            29  Z   Na   26.2949  -19.6495 #+
            30  Z   Na   10.9140  -15.0478 #+
BOND        30
            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   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   24  25 1
            27   17  24 1 #Down
            28   25  26 1
            29   25  27 2
            30   25  28 2

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