KEGG   COMPOUND: C03047
Entry
C03047                      Compound                               

Name
Arcaine;
1,4-Diguanidinobutane
Formula
C6H16N6
Exact mass
172.1436
Mol weight
172.2314
Structure
Reaction
Enzyme
Other DBs
CAS: 544-05-8
PubChem: 5950
ChEBI: 16652
ChEMBL: CHEMBL102740
PDB-CCD: FXQ[PDBj]
3DMET: B00530
NIKKAJI: J11.566E
LinkDB
KCF data

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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