COMPOUND: C00113
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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
330.21
Structure
Mol file
KCF file
DB search
Reaction
R01019
R01873
R02415
R03535
R05120
R05121
R07353
Enzyme
1.1.5.8
1.2.5.2
1.3.3.11
Brite
Compounds with biological roles [BR:
br08001
]
Vitamins and cofactors
Cofactors
Coenzymes
C00113 PQQ
BRITE hierarchy
Other DBs
CAS:
72909-34-3
PubChem:
3413
ChEBI:
18315
PDB-CCD:
PQQ
[
PDBj
]
NIKKAJI:
J126.218A
LinkDB
All DBs
KCF data
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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
ยป Japanese version
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