KEGG   COMPOUND: C04599
Entry
C04599                      Compound                               
Name
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine;
MPTP
Formula
C12H15N
Exact mass
173.1204
Mol weight
173.25
Structure
Reaction
R04523
Pathway
map05012  Parkinson disease
map05022  Pathways of neurodegeneration - multiple diseases
Enzyme
1.14.13.8
Other DBs
CAS: 28289-54-5
PubChem: 7196
ChEBI: 17963
NIKKAJI: J22.909A
LinkDB
KCF data

ATOM        13
            1   C2y C    18.0297  -17.2137
            2   C8y C    16.6421  -17.2263
            3   C1x C    18.7395  -18.4221
            4   C2x C    18.7139  -16.0051
            5   C8x C    15.9516  -18.4605
            6   C8x C    15.9260  -16.0116
            7   C1x C    20.1396  -18.4284
            8   C1x C    20.1142  -16.0560
            9   C8x C    14.5513  -18.4540
            10  C8x C    14.5259  -16.0372
            11  N1y N    20.8304  -17.1944
            12  C8x C    13.8416  -17.2456
            13  C1a C    22.2177  -17.2516
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13    8  11 1
            14   10  12 2

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