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Record Information
Version	2.0
Creation Date	2015-09-08 17:50:18 -0600
Update Date	2015-09-14 16:46:08 -0600
Secondary Accession Numbers	ECMDB24229
Identification
Name:	D-altronate
Description	D-altronate is a member of the chemical class known as Sugar Acids and Derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xa8b080a8> Close
Synonyms:	D-Altronic acid
Chemical Formula:	C6H11O7
Weight:	Average: 195.148 Monoisotopic: 195.051026274
InChI Key:	RGHNJXZEOKUKBD-UHFFFAOYSA-M
InChI:	InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1
CAS number:	Not Available
IUPAC Name:	2,3,4,5,6-pentahydroxyhexanoate
Traditional IUPAC Name:	2,3,4,5,6-pentahydroxyhexanoate
SMILES:	OCC(O)C(O)C(O)C(O)C([O-])=O
Chemical Taxonomy
Description	belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
Kingdom	Organic compounds
Super Class	Organic acids and derivatives
Class	Hydroxy acids and derivatives
Sub Class	Medium-chain hydroxy acids and derivatives
Direct Parent	Medium-chain hydroxy acids and derivatives
Alternative Parents	Medium-chain fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Monosaccharides Secondary alcohols Polyols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Substituents	Medium-chain hydroxy acid Medium-chain fatty acid Beta-hydroxy acid Hydroxy fatty acid Fatty acyl Fatty acid Monosaccharide Secondary alcohol Carboxylic acid derivative Carboxylic acid Polyol Monocarboxylic acid or derivatives Alcohol Organic oxygen compound Organooxygen compound Primary alcohol Hydrocarbon derivative Organic oxide Carbonyl group Organic anion Aliphatic acyclic compound
Molecular Framework	Aliphatic acyclic compounds
External Descriptors	a small molecule (L-IDONATE )
Physical Properties
State:	Not Available
Charge:	-1
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 520 g/L ALOGPS logP -2.1 ALOGPS logP -3.4 ChemAxon logS 0.39 ALOGPS pKa (Strongest Acidic) 3.39 ChemAxon pKa (Strongest Basic) -3 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 7 ChemAxon Hydrogen Donor Count 5 ChemAxon Polar Surface Area 141.28 Ų ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 49.11 m³·mol⁻¹ ChemAxon Polarizability 16.55 ų ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:	D-Fructuronate + NADH + Hydrogen ion > NAD + D-altronate D-altronate > Water + 2-Dehydro-3-deoxy-D-galactonate + 2-Keto-3-deoxy-D-gluconic acid D-altronate + D-altronate > Water + 2-Dehydro-3-deoxy-D-galactonate + 2-Keto-3-deoxy-D-gluconic acid D-tagaturonate + NADH + Hydrogen ion + D-Tagaturonate > NAD + D-altronate + D-altronate
SMPDB Pathways:	hexuronide and hexuronate degradation PW000834
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-01pk-1900000000-70f22ad0bb21f01a04ea View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-03di-7900000000-b4db77f5d89d0bae7182 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-03dl-9100000000-0963d008cd3a4a25f6b6 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-0570-7900000000-33acbc63d8b7c38664c3 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0a4r-9500000000-200966bf9240d8929c38 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-0btc-9100000000-a6be42de37a48e4f8ce5 View in MoNA 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID Not Available HMDB ID Not Available Pubchem Compound ID 4134252 Kegg ID Not Available ChemSpider ID Not Available Wikipedia ID Not Available BioCyc ID Not Available

Enzymes