KMH
(5S)-5-AMINO-3-OXO-HEXANOIC ACID
Created: | 2011-01-31 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 1 |
Bond Count | 20 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (5S)-5-AMINO-3-OXO-HEXANOIC ACID |
Systematic Name (OpenEye OEToolkits) | (5S)-5-amino-3-oxo-hexanoic acid |
Formula | C6 H11 N O3 |
Molecular Weight | 145.156 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.352 | C[CH](N)CC(=O)CC(O)=O |
SMILES | OpenEye OEToolkits | 1.6.1 | CC(CC(=O)CC(=O)O)N |
Canonical SMILES | CACTVS | 3.352 | C[C@H](N)CC(=O)CC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.6.1 | C[C@@H](CC(=O)CC(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1 |
InChIKey | InChI | 1.03 | FAASBXNEOGMQHS-BYPYZUCNSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 440077, 25246292 |
ChEBI | CHEBI:58523, CHEBI:27713 |