KEGG   COMPOUND: C16038
Entry
C16038                      Compound                               
Name
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine;
PhIP
Formula
C13H12N4
Exact mass
224.1062
Mol weight
224.2612
Structure
Pathway
map05200  Pathways in cancer
map05204  Chemical carcinogenesis - DNA adducts
map05208  Chemical carcinogenesis - reactive oxygen species
map05215  Prostate cancer
Other DBs
CAS: 105650-23-5
PubChem: 47205348
ChEBI: 76290
PDB-CCD: PIQ[PDBj]
NIKKAJI: J258.694K
LinkDB
KCF data

ATOM        17
            1   C8y C    17.0800  -17.2900
            2   C8x C    17.0800  -18.6900
            3   N5x N    18.2924  -19.3900
            4   C8y C    19.5049  -18.6900
            5   C8y C    19.5049  -17.2900
            6   C8x C    18.2924  -16.5900
            7   N5x N    20.8364  -19.1226
            8   C8y C    21.6593  -17.9900
            9   N4y N    20.8364  -16.8574
            10  C8y C    15.8676  -16.5900
            11  C8x C    15.8676  -15.1902
            12  C8x C    14.6551  -14.4902
            13  C8x C    13.4427  -15.1902
            14  C8x C    13.4427  -16.5900
            15  C8x C    14.6551  -17.2900
            16  N1a N    23.0300  -17.9900
            17  C1a C    21.2675  -15.5306
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18    8  16 1
            19    9  17 1

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