KEGG   COMPOUND: C13269
Entry
C13269                      Compound                               
Name
Aspoxicillin
Formula
C21H27N5O7S
Exact mass
493.1631
Mol weight
493.5334
Structure
Remark
Same as: D07469
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
     J01CA19 Aspoxicillin
      D07469  Aspoxicillin (JAN/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01710  beta-Lactam antibiotic
   DG01713  Penicillin skeleton group
    DG01480  Penicillin
     DG00533  Aspoxicillin
      D07469  Aspoxicillin
  DG01780  Extended spectrum penicillin
   DG00533  Aspoxicillin
    D07469  Aspoxicillin
Antimicrobials [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor, beta-lactam
   Extended spectrum penicillin
    D07469  Aspoxicillin (JAN/INN)
Other DBs
CAS: 63358-49-6
PubChem: 586013
ChEBI: 31240
NIKKAJI: J23.682I
LinkDB
KCF data

ATOM        34
            1   N1b N    28.1492  -15.6606
            2   C5a C    26.9345  -16.3572
            3   C1c C    25.7238  -15.6536
            4   O5a O    26.9306  -17.7574
            5   C8y C    25.7278  -14.2534
            6   N1b N    24.5093  -16.3503
            7   C8x C    26.9397  -13.5670
            8   C8x C    26.9437  -12.1668
            9   C8y C    25.7330  -11.4633
            10  C8x C    24.5184  -12.1599
            11  C8x C    24.5144  -13.5601
            12  O1a O    25.7370  -10.0631
            13  C5a C    23.2986  -15.6469
            14  C1c C    22.0840  -16.3436
            15  O5a O    23.3026  -14.2467
            16  C1b C    20.8734  -15.6402
            17  N1a N    22.0802  -17.7438
            18  C5a C    19.6590  -16.3369
            19  N1b N    18.4483  -15.6334
            20  O5a O    19.6550  -17.7371
            21  C1a C    17.2337  -16.3302
            22  C1y C    29.3799  -16.4298
            23  C5x C    29.3862  -17.8299
            24  C1y C    30.7801  -16.4235
            25  N1y N    30.7822  -17.8264
            26  C1y C    32.1173  -18.2581
            27  C1z C    32.9401  -17.1217
            28  S2x S    32.1137  -15.9879
            29  O5x O    28.3995  -18.8234
            30  C1a C    34.1392  -16.4083
            31  C1a C    34.1455  -17.8157
            32  C6a C    32.5520  -19.5890
            33  O6a O    31.6166  -20.6310
            34  O6a O    33.9219  -19.8781
BOND        36
            1     3   5 1 #Down
            2     3   6 1
            3     5   7 2
            4     7   8 1
            5     8   9 2
            6     9  10 1
            7    10  11 2
            8    11   5 1
            9     9  12 1
            10    6  13 1
            11   13  14 1
            12   13  15 2
            13   14  16 1
            14   14  17 1 #Down
            15    1   2 1
            16   16  18 1
            17    2   3 1
            18   18  19 1
            19    2   4 2
            20   18  20 2
            21   19  21 1
            22   28  24 1
            23   23  29 2
            24   27  30 1
            25   27  31 1
            26   26  32 1 #Down
            27   22  23 1
            28   32  33 2
            29   32  34 1
            30   23  25 1
            31   24  22 1
            32   24  25 1
            33   25  26 1
            34   26  27 1
            35   27  28 1
            36   22   1 1 #Up

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