KEGG   COMPOUND: C02207
Entry
C02207                      Compound                               
Name
beta-Alanopine;
N-(D-1-Carboxyethyl)-beta-alanine
Formula
C6H11NO4
Exact mass
161.0688
Mol weight
161.1558
Structure
Reaction
Enzyme
Other DBs
PubChem: 5275
ChEBI: 15337 50531
3DMET: B00401
KCF data

ATOM        11
            1   C6a C    14.2800  -15.9600
            2   C1c C    15.4924  -15.2600
            3   C1a C    16.7049  -15.9600
            4   O6a O    13.0676  -15.2600
            5   O6a O    14.2800  -17.3600
            6   N1b N    15.4924  -13.8600
            7   C1b C    16.6879  -13.1696
            8   C1b C    17.8753  -13.8551
            9   C6a C    19.0665  -13.1671
            10  O6a O    20.2560  -13.8538
            11  O6a O    19.0665  -11.7603
BOND        10
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1 #Down
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 2

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