COMPOUND: C03975
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Entry
C03975 Compound
Name
Isoxanthopterin;
2-Amino-4,7-dihydroxypteridine
Formula
C6H5N5O2
Exact mass
179.0443
Mol weight
179.1362
Structure
Mol file
KCF file
DB search
Reaction
R02816
Enzyme
1.17.3.1
Other DBs
CAS:
529-69-1
PubChem:
6694
ChEBI:
16713
PDB-CCD:
7PD
[
PDBj
]
3DMET:
B00659
NIKKAJI:
J102.690I
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KCF data
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ATOM 13
1 C8y C 13.9300 -16.3800
2 C8x C 13.9300 -17.7800
3 N5x N 15.1424 -18.4800
4 C8y C 16.3549 -17.7800
5 C8y C 16.3549 -16.3800
6 N4x N 15.1424 -15.6800
7 C8y C 17.5673 -18.4800
8 N5x N 18.7797 -17.7800
9 C8y C 18.7797 -16.3800
10 N4x N 17.5673 -15.6800
11 O5x O 12.7176 -15.6800
12 O5x O 17.5673 -19.8800
13 N1a N 19.9773 -15.6885
BOND 14
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 1 11 2
13 7 12 2
14 9 13 1
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