COMPOUND: C21100
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Entry
C21100 Compound
Name
Caldopentamine;
N-(3-Aminopropyl)-N'-{3-[(3-aminopropyl)amino]propyl}-1,3-propanediamine
Formula
C12H31N5
Exact mass
245.2579
Mol weight
245.408
Structure
Mol file
KCF file
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Reaction
R11089
Enzyme
2.5.1.127
Other DBs
PubChem:
312642069
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KCF data
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ATOM 17
1 N1b N 16.2478 -16.5568
2 C1b C 15.0345 -15.8598
3 C1b C 17.4611 -15.8598
4 C1b C 13.8149 -16.5568
5 C1b C 18.6808 -16.5568
6 C1b C 12.6016 -15.8598
7 C1b C 19.8941 -15.8598
8 N1a N 11.3881 -16.5568
9 N1b N 21.1074 -16.5568
10 C1b C 22.2938 -15.8273
11 C1b C 23.5069 -16.5277
12 C1b C 24.7199 -15.8273
13 N1b N 25.9328 -16.5277
14 C1b C 27.1124 -15.8200
15 C1b C 28.3249 -16.5200
16 C1b C 29.5373 -15.8200
17 N1a N 30.7497 -16.5200
BOND 16
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 7 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
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