KEGG   COMPOUND: C00113Help
Entry
C00113                      Compound                               
Name
PQQ;
Pyrrolo-quinoline quinone;
Pyrroloquinoline-quinone;
Pyrroloquinoline quinone;
4,5-Dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;
Methoxatin
Formula
C14H6N2O8
Exact mass
330.0124
Mol weight
330.206
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
1.1.2.8         1.1.5.8         1.2.99.3        1.3.3.11
Brite
Compounds with biological roles [BR:br08001]
 Cofactors
  Others
   Prosthetic group
    C00113  PQQ
BRITE hierarchy
Other DBs
CAS: 
72909-34-3
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C8y C    25.2700  -15.7500
            2   C8y C    25.2700  -17.1500
            3   C8y C    26.4824  -17.8500
            4   C8x C    27.6949  -17.1500
            5   C8y C    27.6949  -15.7500
            6   N5x N    26.4824  -15.0500
            7   C5x C    24.0576  -15.0500
            8   C5x C    22.8451  -15.7500
            9   C8y C    22.8451  -17.1500
            10  C8y C    24.0576  -17.8500
            11  C8x C    21.8047  -18.0868
            12  C8y C    22.3741  -19.3658
            13  N4x N    23.7665  -19.2194
            14  C6a C    21.6702  -20.5847
            15  O6a O    20.3000  -20.5844
            16  O6a O    22.3750  -21.8065
            17  C6a C    26.4824  -19.2498
            18  O6a O    25.2532  -19.9597
            19  O6a O    27.6780  -19.9402
            20  O5x O    24.0576  -13.6502
            21  O5x O    21.6140  -15.0390
            22  C6a C    28.9260  -15.0390
            23  O6a O    30.1312  -15.7347
            24  O6a O    28.9257  -13.6501
BOND        26
            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     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   10  13 1
            16   12  14 1
            17   14  15 1
            18   14  16 2
            19    3  17 1
            20   17  18 2
            21   17  19 1
            22    7  20 2
            23    8  21 2
            24    5  22 1
            25   22  23 1
            26   22  24 2

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