KEGG   COMPOUND: C02380Help
Entry
C02380                      Compound                               

Name
6-Mercaptopurine;
Mercaptopurine
Formula
C5H4N4S
Exact mass
152.0157
Mol weight
152.1771
Structure
Mol fileKCF fileDB search
Remark
Same as: D04931
Reaction
Pathway
map00983  Drug metabolism - other enzymes
map04976  Bile secretion
Enzyme
1.17.3.2        2.1.1.67        2.4.2.8
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C02380  6-Mercaptopurine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BB Purine analogues
     L01BB02 Mercaptopurine
      D04931  Mercaptopurine (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Antimetabolites
   Mercaptopurine
    D04931  Mercaptopurine (INN)
 Immunological Agents
  Immune Suppressants
   Mercaptopurine
    D04931  Mercaptopurine (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    HPRT1
     D04931  Mercaptopurine (INN)
BRITE hierarchy
Other DBs
CAS: 50-44-2
PubChem: 5422
ChEBI: 2208 50667
ChEMBL: CHEMBL1425
PDB-CCD: PM6[PDBj]
NIKKAJI: J2.298E
LinkDB All DBs
KCF data Show

ATOM        10
            1   C8y C    23.8000  -16.9400
            2   C8y C    23.8000  -18.3400
            3   C8y C    24.9900  -16.2400
            4   N4x N    24.9900  -19.0400
            5   N5x N    26.1800  -16.9400
            6   S0  S    24.9900  -14.8400
            7   C8x C    26.1800  -18.3400
            8   N4x N    22.4000  -16.4500
            9   C8x C    21.6300  -17.6400
            10  N5x N    22.4000  -18.7600
BOND        11
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     5   7 2
            8     1   8 1
            9     8   9 1
            10    9  10 2
            11    2  10 1

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