KEGG   COMPOUND: C07648Help
Entry
C07648                      Compound                               

Name
Thioguanine
Formula
C5H5N5S
Exact mass
167.0266
Mol weight
167.1917
Structure
Mol fileKCF fileDB search
Remark
Same as: D08603
Reaction
Pathway
map00983  Drug metabolism - other enzymes
Enzyme
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BB Purine analogues
     L01BB03 Tioguanine
      D08603  Tioguanine (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Antimetabolites
   Thioguanine
    D08603  Tioguanine (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    HPRT1
     D08603  Tioguanine (INN)
BRITE hierarchy
Other DBs
CAS: 154-42-7
PubChem: 9850
ChEBI: 9555
ChEMBL: CHEMBL727
KNApSAcK: C00018807
PDB-CCD: DX4[PDBj]
NIKKAJI: J21.274A
LinkDB All DBs
KCF data Show

ATOM        11
            1   C8y C    24.9532  -17.2107
            2   C8y C    24.8889  -15.8068
            3   N5x N    26.0940  -17.9067
            4   N4x N    23.5553  -17.6376
            5   C8y C    26.0940  -15.1107
            6   N5x N    23.5553  -15.3739
            7   C8y C    27.3106  -17.2107
            8   C8x C    22.7306  -16.5087
            9   N5x N    27.3106  -15.8068
            10  S1a S    26.0998  -13.7068
            11  N1a N    28.5274  -17.9009
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10    7  11 1
            11    6   8 2
            12    7   9 1

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