COMPOUND: C22944
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Entry
C22944 Compound
Name
Indigoidine;
3-(5-Amino-2-hydroxy-6-oxo-1H-pyridin-3-yl)-5-iminopyridine-2,6-dione
Formula
C10H8N4O4
Exact mass
248.0546
Mol weight
248.19
Structure
Mol file
KCF file
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Reaction
R13354
R13355
Enzyme
4.3.3.9
Other DBs
PubChem:
500141075
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KCF data
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ATOM 18
1 C2y C 9.9400 -14.9100
2 C2x C 11.3400 -14.9100
3 C2y C 12.0400 -13.6976
4 C5x C 11.3400 -12.4851
5 N1x N 9.9400 -12.4851
6 C5x C 9.2400 -13.6976
7 C2y C 13.4398 -13.6976
8 C5x C 14.1497 -14.9268
9 N1x N 15.5497 -14.9266
10 C5x C 16.2496 -13.7141
11 C2y C 15.5397 -12.4849
12 C2x C 14.1397 -12.4851
13 O5x O 7.8402 -13.6976
14 N1a N 9.2400 -16.1224
15 O5x O 12.0510 -11.2540
16 O5x O 13.4546 -16.1308
17 O5x O 17.6400 -13.7140
18 N1a N 16.2506 -11.2537
BOND 19
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 3 7 2
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 2
13 7 12 1
14 6 13 2
15 1 14 1
16 4 15 2
17 8 16 2
18 10 17 2
19 11 18 1
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