GXP
(4S)-4-hydroxy-2,5-dioxopentanoic acid
Created: | 2014-01-16 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 16 |
Chiral Atom Count | 1 |
Bond Count | 15 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (4S)-4-hydroxy-2,5-dioxopentanoic acid |
Systematic Name (OpenEye OEToolkits) | (4S)-4-oxidanyl-2,5-bis(oxidanylidene)pentanoic acid |
Formula | C5 H6 O5 |
Molecular Weight | 146.098 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=CC(O)CC(=O)C(=O)O |
SMILES | CACTVS | 3.385 | O[CH](CC(=O)C(O)=O)C=O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C=O)O)C(=O)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | O[C@@H](CC(=O)C(O)=O)C=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C([C@@H](C=O)O)C(=O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | QZKCWTOLHHFWCD-VKHMYHEASA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 118534747 |