KEGG   COMPOUND: C05340
Entry
C05340                      Compound                               
Name
beta-Alanyl-L-arginine
Formula
C9H19N5O3
Exact mass
245.1488
Mol weight
245.2789
Structure
Reaction
Pathway
map00410  beta-Alanine metabolism
map01100  Metabolic pathways
Enzyme
3.4.13.4        6.3.2.11
Other DBs
PubChem: 7718
ChEBI: 28712
3DMET: B00767
NIKKAJI: J2.755.554C
KCF data

ATOM        17
            1   N1a N    16.4724  -24.4300
            2   C1b C    17.6849  -23.7300
            3   C1b C    18.8973  -24.4300
            4   C5a C    20.1097  -23.7300
            5   N1b N    21.3222  -24.4300
            6   C1c C    22.5346  -23.7300
            7   C1b C    23.7470  -24.4300
            8   C1b C    24.9595  -23.7300
            9   C1b C    26.1719  -24.4300
            10  N1b N    27.3844  -23.7300
            11  C2c C    28.5968  -24.4300
            12  N1a N    29.8339  -23.7154
            13  C6a C    22.5346  -22.3300
            14  O6a O    23.7511  -21.6277
            15  O6a O    21.3262  -21.6323
            16  N2a N    28.5970  -25.8296
            17  O5a O    20.1097  -22.3301
BOND        16
            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    6  13 1 #Down
            13   13  14 2
            14   13  15 1
            15   11  16 2
            16    4  17 2

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