KEGG   DRUG: Aminopterin sodium
Entry
D02527                      Drug                                   
Name
Aminopterin sodium (INN)
Formula
C19H18N8O5. 2Na
Exact mass
484.1196
Mol weight
484.3764
Structure
Simcomp
Class
Antineoplastic
 DG02018  Antimetabolite
  DG01978  Folic acid analog
   DG01930  Dihydrofolate reductase inhibitor
Efficacy
Antineoplastic, Antimetabolite
Interaction
Structure map
map07041  Antineoplastics - antimetabolic agents
Other map
map01523  Antifolate resistance
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG02018  Antimetabolite
   DG01978  Folic acid analog
    DG01930  Dihydrofolate reductase inhibitor
     D02527  Aminopterin sodium
Other DBs
CAS: 58602-66-7
PubChem: 17396701
LigandBox: D02527
NIKKAJI: J89.991G
KCF data

ATOM        34
            1   C8y C    10.7800   -5.9500
            2   N5x N    10.7800   -7.3500
            3   C8y C    11.9924   -8.0500
            4   C8y C    13.2049   -7.3500
            5   C8y C    13.2049   -5.9500
            6   N5x N    11.9924   -5.2500
            7   N5x N    14.4173   -8.0500
            8   C8y C    15.6297   -7.3500
            9   C8x C    15.6297   -5.9500
            10  N5x N    14.4173   -5.2500
            11  N1a N     9.5676   -5.2500
            12  N1a N    11.9924   -9.4498
            13  C1b C    16.8273   -8.0415
            14  N1b N    18.0156   -7.3555
            15  C8y C    19.2064   -8.0431
            16  C8x C    19.2064   -9.4498
            17  C8x C    20.4188  -10.1498
            18  C8y C    21.6312   -9.4498
            19  C8x C    21.6312   -8.0432
            20  C8x C    20.4188   -7.3431
            21  C5a C    22.8428  -10.1493
            22  N1b N    24.0377   -9.4593
            23  O5a O    22.8429  -11.5498
            24  C1c C    25.2254  -10.1449
            25  C1b C    26.4165   -9.4570
            26  C1b C    27.6060  -10.1438
            27  C6a C    25.2255  -11.5498
            28  O6a O    26.4189  -12.2388 #-
            29  O6a O    23.9940  -12.2611
            30  C6a C    28.7961   -9.4565
            31  O6a O    29.9862  -10.1435 #-
            32  O6a O    28.7962   -8.0502
            33  Z   Na   28.1400  -12.3200 #+
            34  Z   Na   31.9200  -10.1500 #+
BOND        34
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13    3  12 1
            14    8  13 1
            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  20 2
            22   15  20 1
            23   18  21 1
            24   21  22 1
            25   21  23 2
            26   22  24 1
            27   24  25 1
            28   25  26 1
            29   24  27 1 #Up
            30   27  28 1
            31   27  29 2
            32   26  30 1
            33   30  31 1
            34   30  32 2

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Ontology (1)   
   KEGG BRITE (1)   
Pathway (2)   
   KEGG PATHWAY (2)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
All databases (7)   

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