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MVA : Summary
Code
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MVA
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One-letter code
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V
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Molecule name
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N-METHYLVALINE
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Systematic names
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Formula
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C6 H13 N O2
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Formal charge
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0
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Molecular weight
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131.173 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(NC)C(C)C |
SMILES
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CACTVS |
3.370 |
CN[CH](C(C)C)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CC(C)C(C(=O)O)NC |
Canonical SMILES
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CACTVS |
3.370 |
CN[C@@H](C(C)C)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
CC(C)[C@@H](C(=O)O)NC |
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IUPAC InChI | InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1 |
IUPAC InChI key | AKCRVYNORCOYQT-YFKPBYRVSA-N |
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wwPDB Information |
Atom count
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22 (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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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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VAL
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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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