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SHI : Summary
Code
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SHI
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One-letter code
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X
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Molecule name
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(S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID
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Synonyms
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(S)-DES-ME-AMPA
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Systematic names
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Formula
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C6 H8 N2 O4
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Formal charge
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0
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Molecular weight
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172.139 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)Cc1conc1O |
SMILES
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CACTVS |
3.341 |
N[CH](Cc1conc1O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1c(c(no1)O)CC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](Cc1conc1O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1c(c(no1)O)C[C@@H](C(=O)O)N |
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IUPAC InChI | InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-12-8-5(3)9/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 |
IUPAC InChI key | ZKLGQYGPVBFAQQ-BYPYZUCNSA-N |
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wwPDB Information |
Atom count
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20 (12 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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2002-09-18
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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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