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SYM : Summary
Code
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SYM
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One-letter code
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X
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Molecule name
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2S,4R-4-METHYLGLUTAMATE
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Systematic names
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Formula
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C6 H10 N O4
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Formal charge
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-1
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Molecular weight
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160.148 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)CC(C(=O)O)C |
SMILES
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CACTVS |
3.341 |
C[CH](C[CH](N)C([O-])=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(CC(C(=O)[O-])N)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
C[C@H](C[C@H](N)C([O-])=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O |
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IUPAC InChI | InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1 |
IUPAC InChI key | KRKRAOXTGDJWNI-DMTCNVIQSA-M |
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wwPDB Information |
Atom count
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21 (11 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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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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2004-02-16
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Last modified at
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2011-06-04
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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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