KEGG   COMPOUND: C02131
Entry
C02131                      Compound                               
Name
Acetylagmatine
Formula
C7H16N4O
Exact mass
172.1324
Mol weight
172.2281
Structure
Other DBs
CAS: 3031-89-8
PubChem: 5210
ChEBI: 2412
PDB-CCD: G0R[PDBj]
NIKKAJI: J33.392A
KCF data

ATOM        12
            1   C5a C    19.8738  -19.5765
            2   N1b N    21.0407  -20.3224
            3   C1a C    18.7007  -20.2529
            4   O5a O    19.8738  -18.2231
            5   C1b C    22.6297  -19.4597
            6   C1b C    23.7967  -20.1301
            7   C1b C    24.9698  -19.4597
            8   C1b C    26.1367  -20.1301
            9   N1b N    27.3037  -19.4597
            10  C2c C    28.5465  -20.1301
            11  N1a N    29.7134  -19.4597
            12  N2a N    28.5465  -21.4832
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   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   10  12 2

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