KEGG   COMPOUND: C01073
Entry
C01073                      Compound                               
Name
N-Acetyl-beta-alanine
Formula
C5H9NO3
Exact mass
131.0582
Mol weight
131.13
Structure
Reaction
R00909
Pathway
map00410  beta-Alanine metabolism
Enzyme
3.5.1.21
Other DBs
CAS: 3025-95-4
PubChem: 4311
ChEBI: 16682
NIKKAJI: J135.888J
LinkDB
KCF data

ATOM        9
            1   O6a O    17.4300  -19.4600
            2   C6a C    18.6424  -18.7600
            3   C1b C    19.8549  -19.4600
            4   C1b C    21.0673  -18.7600
            5   N1b N    22.2797  -19.4600
            6   C5a C    23.4922  -18.7600
            7   C1a C    24.7046  -19.4600
            8   O6a O    18.6424  -17.3602
            9   O5a O    23.4922  -17.3603
BOND        8
            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     2   8 2
            8     6   9 2

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