COMPOUND: C04711
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Entry
C04711 Compound
Name
5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene
Formula
C14H12O3S2
Exact mass
292.0228
Mol weight
292.3733
Structure
Mol file
KCF file
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Reaction
R04525
Enzyme
3.1.1.66
Other DBs
PubChem:
7283
ChEBI:
17229
NIKKAJI:
J410.281I
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KCF data
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ATOM 19
1 C8y C 31.7529 -11.5068
2 C3b C 30.6232 -10.8517
3 C3b C 29.4936 -10.1967
4 C1c C 28.3578 -9.5357
5 C1b C 27.2341 -10.1907
6 O1a O 28.3578 -8.2317
7 O7a O 26.0985 -9.5418
8 C7a C 24.9687 -10.1907
9 O6a O 24.9748 -11.5007
10 C1a C 23.8391 -9.5357
11 C8x C 31.8067 -12.8797
12 C8x C 33.1312 -13.2518
13 C8y C 33.8944 -12.1071
14 S2x S 33.0416 -11.0276
15 C8y C 35.2944 -12.1071
16 S2x S 36.1136 -13.2348
17 C8x C 37.4392 -12.8041
18 C8x C 37.4393 -11.4103
19 C8x C 36.1137 -10.9796
BOND 20
1 1 2 1
2 2 3 3
3 3 4 1
4 4 5 1
5 4 6 1
6 5 7 1
7 7 8 1
8 8 9 2
9 8 10 1
10 1 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 1 14 1
15 13 15 1
16 15 16 1
17 16 17 1
18 17 18 2
19 18 19 1
20 15 19 2
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