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BAL : Summary
Code
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BAL
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One-letter code
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X
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Molecule name
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BETA-ALANINE
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Systematic names
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Formula
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C3 H7 N O2
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Formal charge
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0
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Molecular weight
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89.093 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(O)CCN |
SMILES
|
CACTVS |
3.370 |
NCCC(O)=O |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
C(CN)C(=O)O |
Canonical SMILES
|
CACTVS |
3.370 |
NCCC(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
C(CN)C(=O)O |
|
IUPAC InChI | InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) |
IUPAC InChI key | UCMIRNVEIXFBKS-UHFFFAOYSA-N |
Is part of |
PN4
, KH4
|
|
wwPDB Information |
Atom count
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13 (6 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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peptide-like
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Type code
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ATOMP
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2023-11-03
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Status
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Released
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Obsoleted
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Not Assigned
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