COMPOUND: C03047
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Entry
C03047 Compound
Name
Arcaine;
1,4-Diguanidinobutane
Formula
C6H16N6
Exact mass
172.1436
Mol weight
172.2314
Structure
Mol file
KCF file
DB search
Reaction
R01418
Enzyme
3.5.3.20
Other DBs
CAS:
544-05-8
PubChem:
5950
ChEBI:
16652
PDB-CCD:
FXQ
[
PDBj
]
3DMET:
B00530
NIKKAJI:
J11.566E
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All DBs
KCF data
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ATOM 12
1 N1a N 16.3800 -18.2000
2 C2c C 17.5924 -17.5000
3 N1b N 18.8049 -18.2000
4 C1b C 20.0173 -17.5000
5 C1b C 21.2297 -18.2000
6 C1b C 22.4422 -17.5000
7 C1b C 23.6546 -18.2000
8 N1b N 24.8670 -17.5000
9 C2c C 26.0795 -18.2000
10 N1a N 27.2919 -17.5000
11 N2a N 26.0795 -19.5997
12 N2a N 17.5924 -16.1002
BOND 11
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 9 11 2
11 2 12 2
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