COMPOUND: C20967
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Entry
C20967 Compound
Name
N(beta)-Epoxysuccinamoyl-DAP;
N(beta)-Epoxysuccinamoyl-diaminopropionate;
3-({[(2R,3R)-3-Carbamoyloxiran-2-yl]carbonyl}amino)-L-alanine
Formula
C7H11N3O5
Exact mass
217.0699
Mol weight
217.1793
Structure
Mol file
KCF file
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Reaction
R10941
Enzyme
6.3.2.47
Other DBs
PubChem:
318172258
ChEBI:
181411
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KCF data
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ATOM 15
1 N1a N 13.8234 -16.1852
2 C5a C 15.0370 -15.4846
3 C1y C 16.2506 -16.1852
4 C1y C 17.4640 -15.4846
5 C5a C 18.6776 -16.1852
6 N1b N 19.8913 -15.4846
7 O5a O 15.0370 -14.0835
8 O5a O 18.6776 -17.5862
9 O2x O 17.4638 -16.8858
10 C1b C 21.0889 -16.1761
11 C1c C 22.2897 -15.4827
12 C6a C 23.4744 -16.1666
13 N1a N 22.2899 -14.0703
14 O6a O 24.6670 -15.4779
15 O6a O 23.4745 -17.5698
BOND 15
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 2 7 2
7 5 8 2
8 3 9 1
9 4 9 1
10 6 10 1
11 10 11 1
12 11 12 1
13 11 13 1 #Down
14 12 14 1
15 12 15 2
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