KEGG   COMPOUND: C16614Help
Entry
C16614                      Compound                               

Name
6-Methylmercaptopurine;
Thiopurine S-methylether
Formula
C6H6N4S
Exact mass
166.0313
Mol weight
166.2036
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Drug metabolism - other enzymes
Enzyme
2.1.1.67        2.4.2.8
Other DBs
CAS: 
50-66-8
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        11
            1   C8y C    24.9900  -16.5900
            2   C8y C    23.7300  -17.2900
            3   S2a S    24.9900  -15.1900
            4   N5x N    26.1800  -17.2900
            5   C8y C    23.7300  -18.6900
            6   N4x N    22.4700  -16.8700
            7   C8x C    26.1800  -18.6900
            8   N5x N    22.4000  -19.1100
            9   N5x N    24.9900  -19.4600
            10  C8x C    21.6300  -17.9900
            11  C1a C    26.2024  -14.4900
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     6  10 1
            10    7   9 2
            11    8  10 2
            12    3  11 1

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