KEGG   COMPOUND: C05341
Entry
C05341                      Compound                               
Name
beta-Alanyl-L-lysine
Formula
C9H19N3O3
Exact mass
217.1426
Mol weight
217.2655
Structure
Reaction
Pathway
map00410  beta-Alanine metabolism
map01100  Metabolic pathways
Enzyme
3.4.13.4        6.3.2.11
Other DBs
PubChem: 7719
ChEBI: 27749
3DMET: B00768
NIKKAJI: J2.008.870B
KCF data

ATOM        15
            1   N1a N    17.5000  -23.8000
            2   C1b C    18.7124  -23.1000
            3   C1b C    19.9249  -23.8000
            4   C5a C    21.1373  -23.1000
            5   N1b N    22.3497  -23.8000
            6   C1c C    23.5622  -23.1000
            7   C1b C    24.7746  -23.8000
            8   C1b C    25.9870  -23.1000
            9   C1b C    27.1995  -23.8000
            10  C1b C    28.4119  -23.1000
            11  N1a N    29.6244  -23.8000
            12  O5a O    21.1373  -21.7000
            13  C6a C    23.5622  -21.7003
            14  O6a O    24.7954  -20.9880
            15  O6a O    22.3706  -21.0122
BOND        14
            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    4  12 2
            12    6  13 1 #Down
            13   13  14 2
            14   13  15 1

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