KEGG   COMPOUND: C08263
Entry
C08263                      Compound                               
Name
beta-Alaninebetaine;
beta-Alanine betaine;
Propiobetaine;
Trimethylalanine
Formula
C6H13NO2
Exact mass
131.0946
Mol weight
131.1729
Structure
Other DBs
CAS: 6458-06-6
PubChem: 10462
ChEBI: 28825
KNApSAcK: C00001334
NIKKAJI: J36.660I J934.436E
LinkDB
KCF data

ATOM        9
            1   N1d N    29.8321  -19.8976 #+
            2   C1b C    28.6184  -19.2032
            3   C1a C    29.8261  -21.2979
            4   C1a C    31.3256  -18.9815
            5   C1a C    31.0456  -20.6035
            6   C1b C    27.4048  -19.9033
            7   C6a C    26.1911  -19.2091
            8   O6a O    26.2028  -17.8088
            9   O6a O    24.9193  -19.9150 #-
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 2
            8     7   9 1

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