COMPOUND: C15599
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Entry
C15599 Compound
Name
6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate;
6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid
Formula
C14H14N2O8
Exact mass
338.075
Mol weight
338.2696
Structure
Mol file
KCF file
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Reaction
R07353
Enzyme
1.3.3.11
Other DBs
PubChem:
17396591
ChEBI:
49081
NIKKAJI:
J2.048.401B
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KCF data
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ATOM 24
1 C2x C 25.7882 -17.9062
2 C2y C 24.6100 -17.2188
3 C2y C 26.9740 -17.2275
4 C2y C 26.9821 -15.8286
5 C1y C 28.1832 -17.9117
6 C5x C 25.7872 -15.1292
7 N1x N 28.1919 -15.1371
8 C1x C 29.3950 -17.2280
9 C6a C 28.2394 -19.2945
10 C5x C 24.6480 -15.8286
11 O5x O 25.7872 -13.7491
12 C1y C 29.4012 -15.8373
13 O6a O 26.9734 -19.9857
14 O6a O 29.3693 -19.9942
15 O5x O 23.3763 -15.1371
16 C6a C 30.5879 -15.1536
17 O6a O 31.7893 -15.8534
18 O6a O 30.6035 -13.7826
19 C1b C 23.3789 -17.9448
20 C1c C 22.1241 -17.2356
21 C6a C 20.8779 -17.9707
22 O6a O 19.6305 -17.2662
23 O6a O 20.8919 -19.4316
24 N1a N 22.1111 -15.7642
BOND 25
1 1 2 2
2 3 1 1
3 3 4 2
4 3 5 1
5 4 6 1
6 4 7 1
7 5 8 1
8 5 9 1
9 2 10 1
10 6 11 2
11 7 12 1
12 9 13 1
13 9 14 2
14 10 15 2
15 12 16 1
16 16 17 1
17 16 18 2
18 6 10 1
19 8 12 1
20 2 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 21 23 2
25 20 24 1
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