COMPOUND: C04670
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Entry
C04670 Compound
Name
(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Formula
C7H10O4
Exact mass
158.0579
Mol weight
158.15
Structure
Mol file
KCF file
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Reaction
R05315
Enzyme
1.1.1.166
Other DBs
PubChem:
7251
ChEBI:
15567
NIKKAJI:
J2.752.836H
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KCF data
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ATOM 11
1 C1y C 17.1357 -13.1028
2 C1x C 18.3596 -13.8013
3 C1x C 15.9309 -13.8013
4 C6a C 17.1357 -11.7058
5 C5x C 18.3596 -15.2111
6 C1x C 15.9309 -15.2111
7 O6a O 18.3405 -11.0138
8 O6a O 15.9246 -11.0201
9 C1y C 17.1357 -15.9225
10 O5x O 19.5709 -15.9032
11 O1a O 17.1357 -17.3131
BOND 11
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 2
8 5 9 1
9 5 10 2
10 9 11 1 #Up
11 6 9 1
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