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ABA : Summary
Code
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ABA
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One-letter code
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A
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Molecule name
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ALPHA-AMINOBUTYRIC ACID
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Systematic names
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Formula
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C4 H9 N O2
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Formal charge
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0
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Molecular weight
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103.12 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)C(N)CC |
SMILES
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CACTVS |
3.385 |
CC[CH](N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CCC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.385 |
CC[C@H](N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CC[C@@H](C(=O)O)N |
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IUPAC InChI | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 |
IUPAC InChI key | QWCKQJZIFLGMSD-VKHMYHEASA-N |
Is part of |
UBZ
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wwPDB Information |
Atom count
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16 (7 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-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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