COMPOUND: C06050
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Entry
C06050 Compound
Name
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate;
5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate
Formula
C8H7NO4
Exact mass
181.0375
Mol weight
181.1455
Structure
Mol file
KCF file
DB search
Reaction
R02993
R04524
Pathway
map00750
Vitamin B6 metabolism
map01120
Microbial metabolism in diverse environments
Enzyme
1.1.99.42
1.2.1.100
Other DBs
PubChem:
8321
ChEBI:
140633
28038
3DMET:
B00892
NIKKAJI:
J101.922H
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KCF data
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ATOM 13
1 C8y C 25.1358 -16.8980
2 C8y C 26.3535 -17.6004
3 C8y C 23.9182 -17.6004
4 C6a C 25.1242 -15.4932
5 C8x C 26.3535 -18.9996
6 C4a C 27.5476 -16.8922
7 C8y C 23.9182 -18.9996
8 O1a O 22.7124 -16.8980
9 O6a O 23.9065 -14.8024
10 O6a O 26.3300 -14.7907
11 N5x N 25.1358 -19.7021
12 O4a O 27.6118 -15.4872
13 C1a C 22.7124 -19.6904
BOND 13
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 2
11 6 12 2
12 7 13 1
13 7 11 1
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