KEGG   COMPOUND: C19606
Entry
C19606                      Compound                               

Name
NNAL-N-glucuronide
Formula
C16H23N3O8
Exact mass
385.1485
Mol weight
385.3691
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
Other DBs
PubChem: 124490275
ChEBI: 82592
KCF data

ATOM        27
            1   N5y N    18.4400  -22.3400 #+
            2   C8x C    18.4400  -23.7408
            3   C8x C    19.6530  -24.4411
            4   C8x C    20.8662  -23.7408
            5   C8y C    20.8662  -22.3400
            6   C8x C    19.6530  -21.6396
            7   C1c C    22.1043  -21.6396
            8   C1b C    23.3174  -22.3400
            9   C1b C    24.5305  -21.6396
            10  C1b C    25.7434  -22.3400
            11  N1c N    26.9565  -21.6396
            12  C1a C    28.1696  -22.3400
            13  O1a O    22.1105  -20.2392
            14  N2b N    26.9565  -20.2392
            15  O3a O    28.1904  -19.5266
            16  C1y C    17.2680  -21.2767
            17  O2x O    17.9698  -20.0610
            18  C1y C    17.2680  -18.8453
            19  C1y C    15.8642  -18.8453
            20  C1y C    15.1623  -20.0610
            21  C1y C    15.8642  -21.2767
            22  O1a O    15.1737  -22.4725
            23  O1a O    13.7661  -20.0610
            24  O1a O    15.1741  -17.6501
            25  C6a C    17.9619  -17.6438
            26  O6a O    19.3657  -17.6438 #-
            27  O6a O    17.2775  -16.4582
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  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   16  21 1
            22   21  22 1 #Down
            23   20  23 1 #Up
            24   19  24 1 #Down
            25   18  25 1 #Up
            26   25  26 1
            27   25  27 2
            28   16   1 1 #Up

» Japanese version

DBGET integrated database retrieval system