KEGG   DRUG: SparsomycinHelp
Entry
D05905                      Drug                                   

Name
Sparsomycin (USAN/INN)
Formula
C13H19N3O5S2
Exact mass
361.0766
Mol weight
361.4371
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic
Other DBs
CAS: 1404-64-4
PubChem: 47207564
ChEMBL: CHEMBL105720 CHEMBL38707
DrugBank: DB04222
PDB-CCD: SPS[PDBj]
LigandBox: D05905
NIKKAJI: J9.501J
LinkDB All DBs
KCF data Show

ATOM        23
            1   N4x N    28.5600  -13.3700
            2   C8y C    28.5600  -14.7700
            3   N4x N    27.3700  -15.4700
            4   C8y C    26.1100  -14.7700
            5   C8y C    26.1100  -13.3700
            6   C8y C    27.3700  -12.6700
            7   O5x O    27.3700  -11.2700
            8   O5x O    29.7500  -15.4700
            9   C2b C    24.9900  -12.6700
            10  C1a C    24.9200  -15.4700
            11  C2b C    23.7300  -13.3700
            12  C5a C    22.6100  -12.6700
            13  N1b N    21.4200  -13.3700
            14  O5a O    22.6100  -11.2700
            15  C1c C    20.2300  -12.6700
            16  C1b C    19.0400  -13.3700
            17  S4a S    17.7800  -12.6700
            18  O3c O    17.7800  -11.2000
            19  C1b C    16.5900  -13.3000
            20  S2a S    15.4000  -12.6000
            21  C1a C    14.2100  -13.3000
            22  C1b C    20.2300  -11.2700
            23  O1a O    21.4200  -10.5700
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     2   8 2
            9     5   9 1
            10    4  10 1
            11    9  11 2
            12   11  12 1
            13   12  13 1
            14   12  14 2
            15   13  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   17  19 1 #Down
            20   19  20 1
            21   20  21 1
            22   15  22 1 #Down
            23   22  23 1

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