KEGG   COMPOUND: C19603
Entry
C19603                      Compound                               
Name
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol;
NNAL-N-oxide
Formula
C10H15N3O3
Exact mass
225.1113
Mol weight
225.24
Structure
Reaction
R09430
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis - DNA adducts
Other DBs
CAS: 85352-99-4
PubChem: 124490272
ChEBI: 82589
KCF data

ATOM        16
            1   N5y N    18.6737  -19.7693 #+
            2   C8x C    18.6737  -21.1664
            3   C8x C    19.8836  -21.8650
            4   C8x C    21.0937  -21.1664
            5   C8y C    21.0937  -19.7693
            6   C8x C    19.8836  -19.0707
            7   C1c C    22.3286  -19.0707
            8   C1b C    23.5386  -19.7693
            9   C1b C    24.7485  -19.0707
            10  C1b C    25.9584  -19.7693
            11  N1c N    27.1684  -19.0707
            12  C1a C    28.3783  -19.7693
            13  O1a O    22.3348  -17.6739
            14  N2b N    27.1684  -17.6739
            15  O3a O    28.3991  -16.9630
            16  O3a O    17.4633  -19.0704 #-
BOND        16
            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    1  16 1

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
Chemical reaction (1)   
   KEGG REACTION (1)   
All databases (6)   

Download RDF
DBGET integrated database retrieval system