COMPOUND: C06603
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Entry
C06603 Compound
Name
cis,cis-4-Hydroxymuconic semialdehyde;
4-Hydroxymuconic semialdehyde
Formula
C6H6O4
Exact mass
142.0266
Mol weight
142.1094
Structure
Mol file
KCF file
DB search
Reaction
R05236
R05246
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.2.1.61
1.13.11.66
Other DBs
PubChem:
8829
ChEBI:
18301
3DMET:
B00992
NIKKAJI:
J2.762.479K
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KCF data
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ATOM 10
1 O4a O 24.3816 -20.9587
2 C4a C 25.5939 -20.2609
3 C2b C 26.8059 -20.9587
4 C2c C 28.0181 -20.2539
5 C2b C 28.0110 -18.8514
6 C2b C 29.2232 -18.1397
7 C6a C 30.4353 -18.8443
8 O6a O 30.4282 -20.2469
9 O6a O 31.6531 -18.1434
10 O1a O 29.2181 -20.9408
BOND 9
1 2 3 1
2 5 6 2
3 1 2 2
4 6 7 1
5 3 4 2
6 7 8 2
7 4 5 1
8 7 9 1
9 4 10 1
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