KEGG   COMPOUND: C07139Help
Entry
C07139                      Compound                               

Name
Ticarcillin
Formula
C15H16N2O6S2
Exact mass
384.045
Mol weight
384.4273
Structure
Mol fileKCF fileDB search
Remark
Same as: D08593
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
     J01CA13 Ticarcillin
      D08593  Ticarcillin (INN)
BRITE hierarchy
Other DBs
CAS: 34787-01-4
PubChem: 9348
ChEBI: 9587
ChEMBL: CHEMBL1449
NIKKAJI: J17.850K
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1y C    24.5854  -16.9988
            2   C5x C    24.5854  -18.3871
            3   N1y N    25.9738  -18.3871
            4   C1y C    25.9738  -16.9988
            5   C1y C    27.2928  -18.8035
            6   C1z C    28.1256  -17.6930
            7   S2x S    27.2928  -16.5823
            8   C1a C    29.0975  -18.6648
            9   C1a C    29.0975  -16.7211
            10  C6a C    27.7786  -20.1920
            11  O6a O    29.1669  -20.1920
            12  O6a O    26.9455  -21.3028
            13  N1b N    23.4053  -16.3045
            14  C5a C    22.2252  -16.9988
            15  O5x O    23.4053  -19.0813
            16  O5a O    22.2252  -18.3871
            17  C1c C    20.9757  -16.3045
            18  C6a C    19.7614  -17.0326
            19  C8y C    21.0221  -14.8772
            20  O6a O    18.5172  -16.3414
            21  O6a O    19.7148  -18.4388
            22  C8x C    22.1600  -14.0213
            23  C8x C    21.6975  -12.6746
            24  S2x S    20.2738  -12.6983
            25  C8x C    19.8564  -14.0596
BOND        27
            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 #Down
            20   17  19 1
            21   18  20 1
            22   18  21 2
            23   19  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 1
            27   19  25 2

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