COMPOUND: C04479
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Entry
C04479 Compound
Name
2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate;
(2Z,4E)-2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate
Formula
C9H10O6
Exact mass
214.0477
Mol weight
214.1721
Structure
Mol file
KCF file
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Reaction
R02603
R04376
Pathway
map00360
Phenylalanine metabolism
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
map01220
Degradation of aromatic compounds
Enzyme
1.13.11.16
3.7.1.14
Other DBs
PubChem:
7099
ChEBI:
61470
3DMET:
B00720
NIKKAJI:
J891.762K
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KCF data
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ATOM 15
1 C2b C 27.2091 -21.7230
2 C2b C 28.4186 -21.0217
3 C2b C 29.6345 -21.7230
4 C2c C 30.8440 -21.0217
5 O1a O 32.0533 -21.7230
6 C6a C 30.8440 -19.6259
7 C5a C 27.2091 -23.1230
8 O5a O 25.9967 -23.8230
9 C1b C 28.4216 -23.8230
10 C1b C 28.4216 -25.2230
11 C6a C 29.6340 -25.9230
12 O6a O 29.6340 -27.3230
13 O6a O 30.8464 -25.2230
14 O6a O 29.6316 -18.9259
15 O6a O 32.0565 -18.9259
BOND 14
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 4 6 1
6 1 7 1
7 7 8 2
8 7 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 11 13 2
13 6 14 1
14 6 15 2
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