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DAL : Summary
Code
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DAL
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One-letter code
|
A
|
Molecule name
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D-ALANINE
|
Systematic names
|
|
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
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ACDLabs |
10.04 |
O=C(O)C(N)C |
SMILES
|
CACTVS |
3.341 |
C[CH](N)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.341 |
C[C@@H](N)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C[C@H](C(=O)O)N |
|
IUPAC InChI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1 |
IUPAC InChI key | QNAYBMKLOCPYGJ-UWTATZPHSA-N |
Is part of |
M32
, S29
, J0J
, XIB
|
|
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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D-PEPTIDE LINKING
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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ALA
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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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