COMPOUND: C22499
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Entry
C22499 Compound
Name
8-Hydroxyadenine;
7,8-Dihydro-8-oxoadenine
Formula
C5H5N5O
Exact mass
151.0494
Mol weight
151.1261
Structure
Mol file
KCF file
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Reaction
R12987
R12988
R12989
R12990
Pathway
map00230
Purine metabolism
Enzyme
1.17.1.4
1.17.3.2
Other DBs
CAS:
21149-26-8
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KCF data
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ATOM 11
1 C8y C 19.2326 -15.9452
2 C8y C 19.2326 -17.3439
3 N5x N 20.4441 -18.0432
4 C8x C 21.6555 -17.3439
5 N5x N 21.6555 -15.9452
6 C8y C 20.4441 -15.2458
7 N4x N 17.9025 -15.5130
8 C8y C 17.0803 -16.6445
9 N4x N 17.9025 -17.7761
10 N1a N 20.4441 -13.8474
11 O5x O 15.6660 -16.6445
BOND 12
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 2 9 1
11 6 10 1
12 8 11 2
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