COMPOUND: C22913
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Entry
C22913 Compound
Name
Putrebactin;
1,11-dihydroxy-1,6,11,16-tetraazacycloicosane-2,5,12,15-tetrone
Formula
C16H28N4O6
Exact mass
372.2009
Mol weight
372.42
Structure
Mol file
KCF file
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Reaction
R13316
R13317
Enzyme
6.3.2.63
Other DBs
PubChem:
497620264
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KCF data
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ATOM 26
1 C5x C 9.1000 -19.3200
2 C1x C 9.1000 -20.7200
3 C1x C 10.3124 -21.4200
4 C5x C 11.5249 -20.7200
5 N1x N 10.3824 -18.6200
6 N1y N 12.7560 -21.4310
7 C1x C 13.9612 -20.7353
8 C1x C 15.1435 -21.4181
9 C1x C 16.3375 -20.7288
10 C1x C 16.3375 -19.3288
11 N1x N 17.5328 -18.6383
12 C5x C 17.5328 -17.2383
13 O5x O 18.7280 -16.5477
14 C1x C 16.2877 -16.5197
15 C1x C 16.2877 -15.1197
16 C5x C 15.0922 -14.4294
17 N1y N 13.9047 -15.1150
18 O5x O 15.0920 -13.0203
19 C1x C 12.7135 -14.4271
20 O1b O 13.9046 -16.5198
21 C1x C 11.5241 -15.1139
22 C1x C 11.5241 -16.5139
23 C1x C 10.3287 -17.2043
24 O5x O 7.8960 -18.6055
25 O5x O 11.5250 -19.5302
26 O1b O 12.7560 -22.8310
BOND 26
1 1 2 1
2 2 3 1
3 3 4 1
4 1 5 1
5 4 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 2
13 12 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 16 18 2
18 17 19 1
19 17 20 1
20 19 21 1
21 21 22 1
22 22 23 1
23 23 5 1
24 1 24 2
25 4 25 2
26 6 26 1
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