GXP

(4S)-4-hydroxy-2,5-dioxopentanoic acid

Created: 2014-01-16
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count1
Bond Count15
Aromatic Bond Count0
2D diagram of GXP

Chemical Component Summary

Name(4S)-4-hydroxy-2,5-dioxopentanoic acid
Systematic Name (OpenEye OEToolkits)(4S)-4-oxidanyl-2,5-bis(oxidanylidene)pentanoic acid
FormulaC5 H6 O5
Molecular Weight146.098
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=CC(O)CC(=O)C(=O)O
SMILESCACTVS3.385O[CH](CC(=O)C(O)=O)C=O
SMILESOpenEye OEToolkits1.7.6C(C(C=O)O)C(=O)C(=O)O
Canonical SMILESCACTVS3.385 O[C@@H](CC(=O)C(O)=O)C=O
Canonical SMILESOpenEye OEToolkits1.7.6 C([C@@H](C=O)O)C(=O)C(=O)O
InChIInChI1.03 InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10)/t3-/m0/s1
InChIKeyInChI1.03 QZKCWTOLHHFWCD-VKHMYHEASA-N

Related Resource References

Resource NameReference
PubChem 118534747