KEGG   COMPOUND: C21280
Entry
C21280                      Compound                               

Name
AG 2034
Formula
C18H21N5O6S2
Exact mass
467.0933
Mol weight
467.5192
Structure
Pathway
map01523  Antifolate resistance
Other DBs
CAS: 177575-17-6
PubChem: 318172260
ChEMBL: CHEMBL84163
LinkDB
KCF data

ATOM        31
            1   C8y C    10.2900  -29.0500
            2   N4x N    10.2900  -30.4500
            3   C8y C    11.4800  -31.1500
            4   C8y C    12.7400  -30.4500
            5   C8y C    12.7400  -29.0500
            6   N5x N    11.4800  -28.3500
            7   S2x S    13.9300  -31.1500
            8   C1y C    15.1200  -30.4500
            9   C1x C    15.1200  -29.0500
            10  N1x N    13.9300  -28.3500
            11  O5x O    11.4800  -32.5500
            12  N1a N     9.1000  -28.3500
            13  C1b C    16.3100  -31.1500
            14  C1b C    17.5000  -30.4500
            15  C8y C    18.6900  -31.1500
            16  C8x C    19.1100  -32.4800
            17  C8x C    20.5100  -32.4800
            18  C8y C    20.9300  -31.1500
            19  S2x S    19.8100  -30.3100
            20  C5a C    22.1200  -31.8500
            21  N1b N    23.3100  -31.1500
            22  O5a O    22.1200  -33.2500
            23  C1c C    24.5281  -31.8401
            24  C1b C    25.7095  -31.1450
            25  C1b C    26.9149  -31.8280
            26  C6a C    28.0861  -31.1391
            27  O6a O    29.2965  -31.8251
            28  O6a O    28.0748  -29.7500
            29  C6a C    24.4698  -33.2494
            30  O6a O    23.2531  -33.8866
            31  O6a O    25.6739  -34.0129
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    3  11 2
            13    1  12 1
            14    8  13 1 #Down
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  15 1
            22   18  20 1
            23   20  21 1
            24   20  22 2
            25   21  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   26  28 2
            31   23  29 1 #Up
            32   29  30 2
            33   29  31 1

» Japanese version

DBGET integrated database retrieval system