COMPOUND: C23175
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Entry
C23175 Compound
Name
Pseudopaline;
(2R)-2-{[(1S)-1-Carboxylato-3-{[(1S)-1-carboxylato-2-(1H-imidazol-4-yl)ethyl]amino}propyl]amino}pentanedioate
Formula
C15H22N4O8
Exact mass
386.1438
Mol weight
386.36
Structure
Mol file
KCF file
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Reaction
R13703
R13704
Pathway
map00470
D-Amino acid metabolism
Enzyme
1.5.1.58
Other DBs
PubChem:
528799025
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KCF data
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ATOM 27
1 C1c C 19.4444 -16.6466
2 C6a C 19.4444 -15.2477
3 O6a O 18.1854 -14.5483
4 C1b C 20.6334 -17.3461
5 C8y C 21.7525 -16.6466
6 C8x C 21.7525 -15.2477
7 O6a O 20.6334 -14.5483
8 N5x N 23.0814 -17.0663
9 C8x C 23.9208 -15.9472
10 N4x N 23.0814 -14.8281
11 C1c C 14.5483 -16.6466
12 C6a C 14.5483 -15.2477
13 C1b C 15.8073 -17.3461
14 C1b C 16.9963 -16.6466
15 O6a O 15.8073 -14.5483
16 N1b N 18.1854 -17.3461
17 O6a O 13.3593 -14.5483
18 N1b N 13.2893 -17.3461
19 C1c C 13.2893 -18.7461
20 C6a C 12.0790 -19.4449
21 O6a O 12.0790 -20.8449
22 C1b C 14.5018 -20.8460
23 C1b C 14.5018 -19.4460
24 C6a C 15.7142 -21.5460
25 O6a O 16.9267 -20.8460
26 O6a O 15.7143 -22.9460
27 O6a O 10.8665 -18.7449
BOND 27
1 1 2 1
2 2 3 2
3 1 4 1
4 4 5 1
5 5 6 2
6 2 7 1
7 5 8 1
8 8 9 2
9 9 10 1
10 6 10 1
11 11 12 1
12 11 13 1
13 13 14 1
14 12 15 1
15 14 16 1
16 12 17 2
17 1 16 1 #Down
18 11 18 1 #Down
19 18 19 1
20 19 20 1
21 20 21 1
22 22 23 1
23 19 23 1
24 22 24 1
25 24 25 2
26 24 26 1
27 20 27 2
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