KEGG   COMPOUND: C19582
Entry
C19582                      Compound                               
Name
1-(3-Pyridinyl)-1,4-butanediol
Formula
C9H13NO2
Exact mass
167.0946
Mol weight
167.20
Structure
Reaction
R09436 R09440
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis - DNA adducts
Other DBs
CAS: 76014-83-0
PubChem: 124490254
ChEBI: 82576
LinkDB
KCF data

ATOM        12
            1   N5x N    18.6193  -19.3685
            2   C8x C    18.6193  -20.7670
            3   C8x C    19.8304  -21.4663
            4   C8x C    21.0416  -20.7670
            5   C8y C    21.0416  -19.3685
            6   C8x C    19.8304  -18.6694
            7   C1c C    22.2777  -18.6694
            8   C1b C    23.4889  -19.3685
            9   C1b C    24.6998  -18.6694
            10  C1b C    25.9109  -19.3685
            11  O1a O    22.2839  -17.2712
            12  O1a O    27.1418  -18.6575
BOND        12
            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    7  11 1
            12   10  12 1

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