KEGG   DRUG: Mannosulfan
Entry
D07071                      Drug                                   
Name
Mannosulfan (INN)
Formula
C10H22O14S4
Exact mass
493.9892
Mol weight
494.5333
Structure
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01721  Methanesulfonate derivative
Remark
ATC code: L01AB03
Efficacy
Antineoplastic, Alkylating agent
Target
DNA
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AB Alkyl sulfonates
     L01AB03 Mannosulfan
      D07071  Mannosulfan (INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01677  Alkylating agent
   DG01721  Methanesulfonate derivative
    D07071  Mannosulfan
Other DBs
CAS: 7518-35-6
PubChem: 51091413
LigandBox: D07071
NIKKAJI: J9.652K
KCF data

ATOM        28
            1   S4a S    12.5300  -16.1000
            2   O2a O    13.7424  -16.8000
            3   C1b C    14.9549  -16.1000
            4   C1c C    16.1673  -16.8000
            5   C1c C    17.3797  -16.1000
            6   C1c C    18.5922  -16.8000
            7   C1c C    19.8046  -16.1000
            8   C1b C    21.0170  -16.8000
            9   O2a O    22.2295  -16.1000
            10  S4a S    23.4419  -16.8000
            11  O1a O    17.3797  -14.7001
            12  O1a O    18.5922  -18.1997
            13  C1a C    11.5401  -17.0899
            14  O3c O    13.5199  -15.1101
            15  O3c O    11.5276  -15.2600
            16  O2a O    16.1673  -18.2000
            17  S4a S    14.9549  -18.9000
            18  O2a O    19.8046  -14.7000
            19  S4a S    21.0211  -13.9977
            20  O3c O    20.3211  -12.7852
            21  C1a C    22.2335  -13.2977
            22  O3c O    21.7211  -15.2101
            23  O3c O    22.7419  -18.0124
            24  O3c O    24.1419  -15.5876
            25  C1a C    24.6604  -17.5035
            26  O3c O    13.9650  -17.9101
            27  O3c O    15.9448  -19.8899
            28  C1a C    13.9650  -19.8899
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    5  11 1 #Up
            11    6  12 1 #Up
            12    1  13 1
            13    1  14 2
            14    1  15 2
            15   16  17 1
            16    4  16 1 #Down
            17    7  18 1 #Down
            18   18  19 1
            19   19  20 2
            20   19  21 1
            21   19  22 2
            22   10  23 2
            23   10  24 2
            24   10  25 1
            25   17  26 2
            26   17  27 2
            27   17  28 1

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Ontology (2)   
   KEGG BRITE (2)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
All databases (6)   

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