COMPOUND: C22912
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Entry
C22912 Compound
Name
Pre-putrebactin;
4-{[4-({4-[(4-Aminobutyl)(hydroxy)amino]-4-oxobutanoyl}amino)butyl](hydroxy)amino}-4-oxobutanoate
Formula
C16H30N4O7
Exact mass
390.2114
Mol weight
390.43
Structure
Mol file
KCF file
DB search
Reaction
R13315
R13316
Enzyme
6.3.2.63
Other DBs
PubChem:
497620263
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KCF data
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ATOM 27
1 N1a N 8.2600 -13.4400
2 C1b C 9.4724 -12.7400
3 C1b C 10.6849 -13.4400
4 C1b C 11.8973 -12.7400
5 C1b C 13.1097 -13.4400
6 N1c N 14.3222 -12.7400
7 C5a C 15.5346 -13.4400
8 C1b C 16.7470 -12.7400
9 C1b C 17.9595 -13.4400
10 C5a C 19.1719 -12.7400
11 N1b N 20.3844 -13.4400
12 C1b C 21.5968 -12.7400
13 C1b C 22.8092 -13.4400
14 C1b C 24.0217 -12.7400
15 C1b C 25.2341 -13.4400
16 N1c N 26.4465 -12.7400
17 O1b O 14.3222 -11.3403
18 O5a O 15.5346 -14.8400
19 O5a O 19.1719 -11.3400
20 C5a C 27.6690 -13.4459
21 O1b O 26.4466 -11.3401
22 C1b C 28.8696 -12.7526
23 O5a O 27.6690 -14.8399
24 C1b C 30.0544 -13.4366
25 C6a C 31.2470 -12.7479
26 O6a O 32.4357 -13.4342
27 O6a O 31.2470 -11.3403
BOND 26
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 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 6 17 1
17 7 18 2
18 10 19 2
19 16 20 1
20 16 21 1
21 20 22 1
22 20 23 2
23 22 24 1
24 24 25 1
25 25 26 1
26 25 27 2
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