COMPOUND: C21577
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Entry
C21577 Compound
Name
LY404039;
(1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide
Formula
C7H9NO6S
Exact mass
235.0151
Mol weight
235.2145
Structure
Mol file
KCF file
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C21577
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CAS:
635318-11-5
PubChem:
340076558
ChEBI:
94640
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KCF data
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ATOM 15
1 C1y C 16.6463 -14.7090
2 C1y C 17.9109 -15.4115
3 C1y C 17.9109 -14.0064
4 C1z C 19.1755 -15.9033
5 C1x C 20.0185 -14.7090
6 S2x S 19.2457 -13.5849
7 C6a C 15.2412 -14.7090
8 O6a O 14.5387 -13.5146
9 O6a O 14.5387 -15.9033
10 N1a N 19.0355 -17.3084
11 C6a C 20.3698 -16.6059
12 O6a O 21.5641 -15.9033
13 O6a O 20.3698 -18.0110
14 O3c O 20.6508 -13.5849
15 O3c O 19.2457 -12.1798
BOND 16
1 1 2 1
2 2 3 1
3 3 1 1
4 2 4 1
5 4 5 1
6 5 6 1
7 3 6 1
8 1 7 1 #Up
9 7 8 1
10 7 9 2
11 4 10 1 #Down
12 4 11 1 #Up
13 11 12 1
14 11 13 2
15 6 14 2
16 6 15 2
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