COMPOUND: C04446
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Entry
C04446 Compound
Name
3-(3,4-Dihydroxypyridin-1-yl)-L-alanine
Formula
C8H11N2O4
Exact mass
199.0719
Mol weight
199.1839
Structure
Mol file
KCF file
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Reaction
R04091
Enzyme
2.5.1.52
Other DBs
PubChem:
7075
ChEBI:
17993
NIKKAJI:
J2.751.149J
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KCF data
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ATOM 14
1 C8y C 32.3386 -23.6829
2 C8y C 31.1142 -24.3945
3 C8x C 32.3386 -22.2726
4 O1a O 33.5438 -24.3754
5 C8x C 29.9024 -23.6829
6 O1a O 31.1077 -25.7857
7 N5y N 31.1142 -21.5739 #+
8 C8x C 29.9024 -22.2726
9 C1b C 31.1142 -20.1828
10 C1c C 29.9731 -19.3365
11 C6a C 29.9666 -17.9262
12 N1a N 28.6909 -19.8045
13 O6a O 28.8255 -17.1250
14 O6a O 31.2744 -17.4646
BOND 14
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 5 8 1
8 7 9 1
9 9 10 1
10 10 11 1
11 10 12 1 #Down
12 11 13 1
13 11 14 2
14 7 8 2
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