KEGG   COMPOUND: C14034Help
Entry
C14034                      Compound                               

Name
Piperacillin;
Piperacillin anhydrous
Formula
C23H27N5O7S
Exact mass
517.1631
Mol weight
517.5548
Structure
Mol fileKCF fileDB search
Remark
Same as: D08380
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
     J01CA12 Piperacillin
      D08380  Piperacillin (INN)
USP drug classification [BR:br08302]
 Antibacterials
  Beta-lactam, Penicillins
   Piperacillin
    D08380  Piperacillin (INN)
BRITE hierarchy
Other DBs
CAS: 61477-96-1
PubChem: 854275
ChEBI: 8232
ChEMBL: CHEMBL702
PDB-CCD: WPP[PDBj]
NIKKAJI: J18.442J
LinkDB All DBs
KCF data Show

ATOM        36
            1   C1y C    30.0746  -18.6323
            2   C5x C    30.0746  -20.0317
            3   N1y N    31.4740  -20.0317
            4   C1y C    31.4740  -18.6323
            5   C1y C    32.8036  -20.4515
            6   C1z C    33.6431  -19.3321
            7   S2x S    32.8036  -18.2126
            8   C1a C    34.6227  -20.3116
            9   C1a C    34.6227  -18.3524
            10  C6a C    33.2933  -21.8508
            11  O6a O    34.6926  -21.8508
            12  O6a O    32.4537  -22.9703
            13  N1b N    28.8852  -17.9327
            14  C5a C    27.6958  -18.6323
            15  O5x O    28.8852  -20.7314
            16  O5a O    27.6958  -20.0317
            17  C1c C    26.4364  -17.9327
            18  C8y C    26.4364  -16.5332
            19  C8x C    27.6958  -15.8336
            20  C8x C    27.6958  -14.4343
            21  C8x C    26.4364  -13.7345
            22  C8x C    25.2468  -14.4343
            23  C8x C    25.2468  -15.8336
            24  N1b N    25.2468  -18.6323
            25  C5a C    24.0574  -17.9327
            26  O5a O    24.0574  -16.5332
            27  N1y N    22.8123  -18.6444
            28  C5x C    21.5973  -17.9429
            29  C5x C    20.3822  -18.6444
            30  N1y N    20.3822  -20.0474
            31  C1x C    21.5973  -20.7489
            32  C1x C    22.8123  -20.0474
            33  C1b C    19.1651  -20.7500
            34  C1a C    17.9848  -20.0685
            35  O5x O    19.1840  -17.9527
            36  O5x O    21.5971  -16.5618
BOND        39
            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   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
            28   25  26 2
            29   25  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   27  32 1
            36   30  33 1
            37   33  34 1
            38   29  35 2
            39   28  36 2

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