ASA
ASPARTIC ALDEHYDE
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 15 |
Chiral Atom Count | 1 |
Bond Count | 14 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | ASPARTIC ALDEHYDE |
Systematic Name (OpenEye OEToolkits) | (3S)-3-azanyl-4-oxo-butanoic acid |
Formula | C4 H7 N O3 |
Molecular Weight | 117.103 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=CC(N)CC(=O)O |
SMILES | CACTVS | 3.370 | N[CH](CC(O)=O)C=O |
SMILES | OpenEye OEToolkits | 1.7.0 | C(C(C=O)N)C(=O)O |
Canonical SMILES | CACTVS | 3.370 | N[C@@H](CC(O)=O)C=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C([C@@H](C=O)N)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C4H7NO3/c5-3(2-6)1-4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | CGJJPOYORMGCGE-VKHMYHEASA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 6540254 |