DRUG: beta-Alanine
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Entry
D07561 Drug
Name
beta-Alanine;
Abufene (TN)
Formula
C3H7NO2
Exact mass
89.0477
Mol weight
89.09
Structure
Mol file
KCF file
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Simcomp
Neighbor
Remark
Same as:
C00099
Efficacy
Supplement (amino acid)
Other DBs
CAS:
107-95-9
PubChem:
51091882
ChEBI:
16958
PDB-CCD:
BAL
[
PDBj
]
LigandBox:
D07561
NIKKAJI:
J4.070C
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KCF data
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ATOM 6
1 C1b C 24.2200 -18.9700
2 C6a C 23.0300 -18.2700
3 C1b C 25.4100 -18.2700
4 O6a O 21.7700 -18.9700
5 O6a O 23.0300 -16.8700
6 N1a N 26.6000 -18.9700
BOND 5
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 2
5 3 6 1
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