COMPOUND: C04209
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Entry
C04209 Compound
Name
3-(Carboxycarbonylamino)-L-alanine;
N3-Oxalyl-L-2,3-diaminopropanoate;
L-alpha-Amino-beta-oxalylaminopropionic acid;
beta-ODAP
Formula
C5H8N2O5
Exact mass
176.0433
Mol weight
176.13
Structure
Mol file
KCF file
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Reaction
R04211
Enzyme
2.3.1.58
Other DBs
CAS:
5302-45-4
PubChem:
6882
ChEBI:
16399
KNApSAcK:
C00001339
NIKKAJI:
J356.641B
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KCF data
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ATOM 12
1 O6a O 14.9800 -18.6200
2 C6a C 16.1924 -17.9200
3 C1c C 17.4049 -18.6200
4 C1b C 18.6173 -17.9200
5 N1b N 19.8297 -18.6200
6 C5a C 21.0422 -17.9200
7 C6a C 22.2546 -18.6200
8 N1a N 17.4049 -20.0198
9 O6a O 16.1924 -16.5202
10 O5a O 21.0422 -16.5203
11 O6a O 23.4711 -17.9177
12 O6a O 22.2546 -20.0200
BOND 11
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 3 8 1 #Down
8 2 9 2
9 6 10 2
10 7 11 1
11 7 12 2
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