COMPOUND: C02333
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Entry
C02333 Compound
Name
Xanthopterin-B2;
1-(7,8-Dihydro-2,4-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one
Formula
C9H10N4O4
Exact mass
238.0702
Mol weight
238.2001
Structure
Mol file
KCF file
DB search
Reaction
R02974
Enzyme
3.5.4.24
Other DBs
CAS:
14331-49-8
PubChem:
5383
ChEBI:
17953
3DMET:
B00426
NIKKAJI:
J2.736.236B
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KCF data
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ATOM 17
1 C8y C 23.7293 -18.2220
2 C8y C 23.7293 -16.8178
3 N1x N 24.9561 -18.9336
4 N4x N 22.5085 -18.9336
5 N2x N 24.9445 -16.1075
6 C8y C 22.5085 -16.1252
7 C1x C 26.1828 -18.2351
8 C8y C 21.3050 -18.2220
9 C2y C 26.1770 -16.8120
10 N4x N 21.3050 -16.8178
11 O5x O 22.5725 -14.7382
12 O5x O 20.1029 -18.9162
13 C5a C 27.3676 -16.1135
14 C1c C 28.5768 -16.8003
15 O5a O 27.3676 -14.7265
16 C1a C 29.7731 -16.1075
17 O1a O 28.5827 -18.1929
BOND 18
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 2
9 6 10 1
10 6 11 2
11 8 12 2
12 9 13 1
13 13 14 1
14 13 15 2
15 14 16 1
16 14 17 1
17 7 9 1
18 8 10 1
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