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DAS : Summary
Code
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DAS
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One-letter code
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D
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Molecule name
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D-ASPARTIC ACID
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Systematic names
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Formula
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C4 H7 N O4
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Formal charge
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0
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Molecular weight
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133.103 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)CC(N)C(=O)O |
SMILES
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CACTVS |
3.341 |
N[CH](CC(O)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(C(=O)O)N)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
N[C@H](CC(O)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C([C@H](C(=O)O)N)C(=O)O |
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IUPAC InChI | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1 |
IUPAC InChI key | CKLJMWTZIZZHCS-UWTATZPHSA-N |
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wwPDB Information |
Atom count
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16 (9 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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ASP
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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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