COMPOUND: C06318
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Entry
C06318 Compound
Name
(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate;
(1R,6S)-Dihydroxycyclohexa-2,4-diene-1,4-dicarboxylate;
Terephthalate-1,2-cis-dihydrodiol;
cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,4-dicarboxylate
Formula
C8H8O6
Exact mass
200.0321
Mol weight
200.1455
Structure
Mol file
KCF file
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Reaction
R01633
R05148
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
map01220
Degradation of aromatic compounds
Module
M00624
Terephthalate degradation, terephthalate => 3,4-dihydroxybenzoate
Enzyme
1.3.1.53
1.14.12.15
Other DBs
CAS:
161578-47-8
PubChem:
8554
ChEBI:
15564
NIKKAJI:
J2.374.430I
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KCF data
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ATOM 14
1 C1z C 28.3444 -18.3666
2 C1y C 29.5550 -17.6798
3 C2x C 27.1336 -17.6798
4 C6a C 28.3444 -19.7519
5 O1a O 26.9648 -18.9719
6 C2x C 29.5550 -16.2771
7 O1a O 30.7541 -18.3666
8 C2x C 27.1336 -16.2771
9 C2y C 28.3444 -15.5844
10 C6a C 28.3444 -14.1991
11 O6a O 29.5550 -13.5122
12 O6a O 27.1453 -13.5065
13 O6a O 27.1413 -20.4465
14 O6a O 29.5558 -20.4514
BOND 14
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1 #Down
5 2 6 1
6 2 7 1 #Down
7 3 8 2
8 6 9 2
9 9 10 1
10 10 11 1
11 10 12 2
12 8 9 1
13 4 13 1
14 4 14 2
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