KEGG   COMPOUND: C11729Help
Entry
C11729                      Compound                               

Name
Hetacillin
Formula
C19H23N3O4S
Exact mass
389.1409
Mol weight
389.4686
Structure
Mol fileKCF fileDB search
Remark
Same as: D01074
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
     J01CA18 Hetacillin
      D01074  Hetacillin (USAN/INN)
Prodrugs [br08324.html]
 D01074
BRITE hierarchy
Other DBs
CAS: 3511-16-8
PubChem: 13894
ChEBI: 5683
ChEMBL: CHEMBL1201116 CHEMBL3306059
NIKKAJI: J7.741K
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    28.3498  -15.5696
            2   C5x C    28.3498  -16.9414
            3   N1y N    29.7215  -16.9414
            4   C1y C    29.7215  -15.5696
            5   C1y C    31.0246  -17.3527
            6   C1z C    31.8474  -16.2553
            7   S2x S    31.0246  -15.1580
            8   C1a C    32.8077  -17.2155
            9   C1a C    32.8077  -15.2952
            10  C6a C    31.5046  -18.6558
            11  O6a O    32.8762  -18.6558
            12  O6a O    30.6815  -19.7530
            13  N1y N    27.1839  -14.8837
            14  C5x C    26.0180  -15.5696
            15  O5x O    27.1839  -17.6271
            16  O5x O    26.0180  -16.9414
            17  C1y C    24.8273  -14.8885
            18  C8y C    23.6632  -15.5673
            19  N1x N    24.8273  -13.5203
            20  C8x C    22.4782  -14.8832
            21  C8x C    21.2935  -15.5673
            22  C8x C    21.2935  -16.9356
            23  C8x C    22.4782  -17.6197
            24  C8x C    23.6632  -16.9356
            25  C1z C    27.1834  -13.4898
            26  C1a C    28.1541  -12.5058
            27  C1a C    26.6512  -12.2398
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   17  19 1 #Up
            21   18  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   18  24 1
            27   13  25 1
            28   19  25 1
            29   25  26 1
            30   25  27 1

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