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MEG : Summary
Code 
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MEG
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One-letter code 
|
E
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Molecule name 
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(2S,3S)-2-azanyl-3-methyl-pentanedioic acid
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Synonyms 
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(3S)-3-methyl-L-glutamic acid
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Systematic names 
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Formula 
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C6 H11 N O4
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Formal charge 
|
0
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Molecular weight 
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161.156 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(O)C(N)C(CC(=O)O)C |
SMILES
|
CACTVS |
3.370 |
C[CH](CC(O)=O)[CH](N)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
CC(CC(=O)O)C(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.370 |
C[C@@H](CC(O)=O)[C@H](N)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
C[C@@H](CC(=O)O)[C@@H](C(=O)O)N |
|
IUPAC InChI  | InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5-/m0/s1 |
IUPAC InChI key  | FHJNAFIJPFGZRI-UCORVYFPSA-N |
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wwPDB Information |
Atom count 
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22 (11 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 
|
GLU
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Defined at 
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2004-05-16
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Last modified at 
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2021-03-01
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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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