KEGG   COMPOUND: C19605
Entry
C19605                      Compound                               
Name
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;
NNAL-O-glucuronide
Formula
C16H23N3O8
Exact mass
385.1485
Mol weight
385.3691
Structure
Reaction
R09426
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis - DNA adducts
Enzyme
2.4.1.17
Other DBs
CAS: 131119-04-5
PubChem: 124490274
ChEBI: 82591
KCF data

ATOM        27
            1   N5x N    18.0417  -19.7671
            2   C8x C    18.0417  -21.1641
            3   C8x C    19.2515  -21.8626
            4   C8x C    20.4614  -21.1641
            5   C8y C    20.4614  -19.7671
            6   C8x C    19.2515  -19.0686
            7   C1c C    21.6962  -19.0686
            8   C1b C    22.9061  -19.7671
            9   C1b C    24.1159  -19.0686
            10  C1b C    25.3256  -19.7671
            11  N1c N    26.5355  -19.0686
            12  C1a C    27.7453  -19.7671
            13  O2a O    21.7024  -17.6719
            14  N2b N    26.5355  -17.6719
            15  O3a O    27.7661  -16.9612
            16  C1y C    20.7125  -16.6820
            17  O2x O    21.4125  -15.4696
            18  C1y C    20.7125  -14.2571
            19  C1y C    19.3125  -14.2571
            20  C1y C    18.6125  -15.4696
            21  C1y C    19.3125  -16.6820
            22  O1a O    18.6238  -17.8746
            23  O1a O    17.2200  -15.4696
            24  O1a O    18.6242  -13.0651
            25  C6a C    21.4046  -13.0588
            26  O6a O    22.8046  -13.0588
            27  O6a O    20.7220  -11.8764
BOND        28
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  13 1
            14   11  14 1
            15   14  15 2
            16   16  13 1 #Up
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   16  21 1
            23   21  22 1 #Down
            24   20  23 1 #Up
            25   19  24 1 #Down
            26   18  25 1 #Up
            27   25  26 1
            28   25  27 2

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
Gene (7967)   
   KEGG GENES (7967)   
All databases (7974)   

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