KEGG   DRUG: ThymopentinHelp
Entry
D06117                      Drug                                   

Name
Thymopentin (USAN/INN)
Formula
C30H49N9O9
Exact mass
679.3653
Mol weight
679.765
Structure
Mol fileKCF fileDB search
Remark
ATC code: L03AX09
Efficacy
Immunostimulant
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L03 IMMUNOSTIMULANTS
   L03A IMMUNOSTIMULANTS
    L03AX Other immunostimulants
     L03AX09 Thymopentin
      D06117  Thymopentin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 69558-55-0
PubChem: 47207775
ChEMBL: CHEMBL156025
LigandBox: D06117
NIKKAJI: J128.629C
LinkDB All DBs
KCF data Show

ATOM        48
            1   C8x C    43.3200  -24.4953
            2   C8y C    43.3200  -25.8872
            3   C8x C    42.1369  -26.5832
            4   C8x C    40.8842  -25.8872
            5   C8y C    40.8842  -24.4953
            6   C8x C    42.1369  -23.7994
            7   O1a O    44.5031  -26.5832
            8   C1b C    39.7011  -23.7994
            9   C1c C    38.5180  -24.4953
            10  N1b N    37.3349  -23.7994
            11  C6a C    38.5180  -25.8872
            12  C5a C    36.1518  -24.4953
            13  O6a O    37.3349  -26.5832
            14  O6a O    39.7011  -26.5832
            15  C1c C    34.9687  -23.7994
            16  O5a O    36.1518  -25.8872
            17  N1b N    33.7856  -24.4953
            18  C5a C    32.6025  -23.7994
            19  C1c C    31.4194  -24.4953
            20  N1b N    30.2363  -23.7994
            21  C5a C    29.0532  -24.4953
            22  C1c C    34.9687  -21.8507
            23  C1a C    33.7856  -21.1548
            24  C1a C    36.1518  -21.1548
            25  O5a O    32.6025  -22.4075
            26  C1b C    31.4194  -26.2352
            27  C1c C    27.8701  -23.7994
            28  N1b N    26.6870  -24.4953
            29  C5a C    25.5039  -23.7994
            30  C1c C    24.3208  -24.4953
            31  C6a C    32.6025  -26.9311
            32  O6a O    33.7856  -26.2352
            33  O6a O    32.6025  -28.3230
            34  O5a O    29.0532  -25.8872
            35  C1b C    27.8701  -22.4075
            36  C1b C    26.6870  -21.7116
            37  C1b C    26.6870  -20.3197
            38  C1b C    25.5039  -19.6237
            39  N1a N    25.5039  -18.2319
            40  O5a O    25.5039  -22.4075
            41  C1b C    23.1377  -23.7994
            42  C1b C    21.9546  -24.4953
            43  C1b C    20.7715  -23.7994
            44  N1b N    19.5884  -24.4953
            45  N1a N    24.3208  -25.8872
            46  C2c C    18.4053  -23.7994
            47  N1a N    17.2222  -24.4953
            48  N2a N    18.4053  -22.4075
BOND        48
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 1 #Up
            12   10  12 1
            13   11  13 2
            14   11  14 1
            15   12  15 1
            16   12  16 2
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   15  22 1 #Up
            23   22  23 1
            24   22  24 1
            25   18  25 2
            26   19  26 1 #Down
            27   21  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   26  31 1
            32   31  32 1
            33   31  33 2
            34   21  34 2
            35   27  35 1 #Up
            36   35  36 1
            37   36  37 1
            38   37  38 1
            39   38  39 1
            40   29  40 2
            41   30  41 1
            42   41  42 1
            43   42  43 1
            44   43  44 1
            45   30  45 1 #Up
            46   44  46 1
            47   46  47 1
            48   46  48 2

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