COMPOUND: C22917
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Entry
C22917 Compound
Name
Bisucaberin;
1,12-Dihydroxy-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone
Formula
C18H32N4O6
Exact mass
400.2322
Mol weight
400.47
Structure
Mol file
KCF file
DB search
Reaction
R13319
R13320
Pathway
map00975
Biosynthesis of various siderophores
Enzyme
6.3.2.64
Other DBs
CAS:
112972-60-8
PubChem:
497620268
PDB-CCD:
OX8
[
PDBj
]
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KCF data
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ATOM 28
1 C5a C 12.6000 -18.1300
2 C1b C 12.6000 -19.5300
3 C1b C 13.8124 -20.2300
4 C5a C 15.0249 -19.5300
5 N1b N 13.8124 -17.4300
6 C1b C 15.0949 -15.3300
7 C1b C 13.8124 -16.0300
8 N1c N 16.2560 -20.2410
9 C1b C 17.4612 -19.5453
10 C1b C 18.6435 -20.2281
11 O1b O 16.2557 -21.6299
12 C1b C 19.8375 -19.5388
13 C1b C 19.8375 -18.1388
14 C1b C 21.0328 -17.4483
15 N1b N 21.0328 -16.0483
16 C5a C 22.2280 -15.3577
17 O5a O 23.4520 -16.0643
18 C1b C 22.2271 -13.9304
19 C1b C 21.0390 -13.2450
20 C5a C 19.8566 -13.9284
21 N1c N 18.6622 -13.2393
22 O5a O 19.8571 -15.1898
23 C1b C 17.4749 -13.9254
24 O1b O 18.6615 -11.8303
25 C1b C 16.2831 -13.2378
26 C1b C 15.0945 -13.9247
27 O5a O 11.3876 -17.4300
28 O5a O 15.0250 -18.2702
BOND 28
1 1 2 1
2 2 3 1
3 3 4 1
4 1 5 1
5 6 7 1
6 5 7 1
7 4 8 1
8 8 9 1
9 9 10 1
10 8 11 1
11 10 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 2
17 16 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 20 22 2
22 21 23 1
23 21 24 1
24 23 25 1
25 25 26 1
26 26 6 1
27 1 27 2
28 4 28 2
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