COMPOUND: C22916
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Entry
C22916 Compound
Name
Bisucaberin B;
Pre-bisucaberin;
3-[(5-{3-[(5-Aminopentyl)(hydroxy)carbamoyl]propanamido}pentyl)(hydroxy)carbamoyl]propanoate
Formula
C18H34N4O7
Exact mass
418.2427
Mol weight
418.49
Structure
Mol file
KCF file
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Reaction
R13318
R13319
Enzyme
6.3.2.64
Other DBs
PubChem:
497620267
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KCF data
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ATOM 29
1 N1a N 3.0100 -15.4000
2 C1b C 4.2224 -14.7000
3 C1b C 5.4349 -15.4000
4 C1b C 6.6473 -14.7000
5 C1b C 7.8597 -15.4000
6 C1b C 9.0722 -14.7000
7 N1c N 10.2846 -15.4000
8 C5a C 11.4970 -14.7000
9 C1b C 12.7095 -15.4000
10 C1b C 13.9219 -14.7000
11 C5a C 15.1344 -15.4000
12 N1b N 16.3468 -14.7000
13 C1b C 17.5592 -15.4000
14 C1b C 18.7717 -14.7000
15 C1b C 19.9841 -15.4000
16 C1b C 21.1965 -14.7000
17 C1b C 22.4090 -15.4000
18 N1c N 23.6214 -14.7000
19 C5a C 24.8338 -15.4000
20 C1b C 26.0463 -14.7000
21 C1b C 27.2587 -15.4000
22 C6a C 28.4711 -14.7000
23 O6a O 29.6836 -15.4000
24 O1b O 10.2846 -16.8000
25 O5a O 11.4970 -13.3001
26 O5a O 15.1344 -16.7999
27 O1b O 23.6214 -13.3004
28 O5a O 24.8338 -16.7999
29 O6a O 28.4711 -13.3001
BOND 28
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 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 7 24 1
24 8 25 2
25 11 26 2
26 18 27 1
27 19 28 2
28 22 29 2
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