Database: COMPOUND
Entry: C00822
LinkDB: C00822


ENTRY       C00822                      Compound
NAME        Dopaquinone
FORMULA     C9H9NO4
EXACT_MASS  195.0532
MOL_WEIGHT  195.1721



REACTION    R00045 R02078 R02962 R03672 R08848
PATHWAY     map00350  Tyrosine metabolism
            map01100  Metabolic pathways
NETWORK     nt06028  Dopamine and serotonin metabolism
ENZYME      1.10.3.1        1.14.18.1
DBLINKS     CAS: 4430-97-1 25520-73-4
            PubChem: 4080
            ChEBI: 16852
            PDB-CCD: G1X[PDBj] 
            3DMET: B01340
ATOM        14
            1   C5x C    21.4200  -23.2400
            2   C5x C    21.4200  -24.6400
            3   C2x C    22.6800  -22.4700
            4   O5x O    20.2300  -22.5400
            5   C2x C    22.6800  -25.3400
            6   O5x O    20.3000  -25.3400
            7   C2y C    23.8700  -23.1700
            8   C2x C    23.8700  -24.5700
            9   C1b C    25.0600  -22.4700
            10  C1c C    26.3200  -23.1700
            11  C6a C    27.5100  -22.4000
            12  N1a N    26.3200  -24.5700
            13  O6a O    28.7700  -23.1000
            14  O6a O    27.5100  -21.0000
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 2
            7     5   8 2
            8     7   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 1 #Up
            12   11  13 1
            13   11  14 2
            14    7   8 1
///

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