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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-05-22 14:17:56 UTC

Update Date

2023-02-21 17:16:26 UTC

HMDB ID

HMDB0002541

Secondary Accession Numbers

HMDB02541

Metabolite Identification

Common Name

Galactonolactone

Description

Galactonolactone has been determined in human urine by reversed-phase HPLC for the specific evaluation of metabolic by-products in the urine of galactosemic patients and based on the simultaneous determination of gluconolactone, galactonolactone and galactitol. (PMID: 1797843 ). Patients with galactose-1-phosphate uridyltransferase (GALT) deficiency, given a load of galactose have been shown to excrete six times as much galactonate in their urine as normal subjects exposed to the same experimental conditions. The production of galactonate occurs through the activity of a soluble NAD+-dependent galactose dehydrogenase, catalyzing the conversion of galactose to D-galactonolactone (D-galactose: NAD+ oxidoreductase, EC 1.1.1.48). (OMMBID).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      37.591 -19.864   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      38.839 -17.272   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      34.787 -20.504   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      37.591 -14.681   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      33.925 -16.502   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      34.787 -14.041   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      36.631 -18.660   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      37.299 -17.272   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      35.129 -19.002   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      36.631 -15.885   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      33.925 -18.042   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      35.129 -15.542   0.000  0.00  0.00           C+0
CONECT    1    7                                                            
CONECT    2    8                                                            
CONECT    3    9                                                            
CONECT    4   10                                                            
CONECT    5   11   12                                                       
CONECT    6   12                                                            
CONECT    7    1    8    9                                                  
CONECT    8    2    7   10                                                  
CONECT    9    3    7   11                                                  
CONECT   10    4    8   12                                                  
CONECT   11    5    9                                                       
CONECT   12    5    6   10                                                  
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Galactonolactone, (D)-isomer	MeSH
Galactonolactone, (L)-isomer	MeSH
D-galactono-1,4-Lactone	HMDB
D-galactono-1,5-Lactone	HMDB
D-galactono-8-Lactone	HMDB
D-Galactonolactone	HMDB
delta-galactono-1,4-Lactone	HMDB
delta-galactono-1,5-Lactone	HMDB
delta-galactono-8-Lactone	HMDB
delta-Galactonolactone	HMDB
gamma-D-Galactonolactone	HMDB
gamma-delta-Galactonolactone	HMDB
Galactonolactone	MeSH

Chemical Formula

C₆H₁₀O₆

Average Molecular Weight

178.14

Monoisotopic Molecular Weight

178.047738052

IUPAC Name

(3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxepan-2-one

Traditional Name

galactonolactone

CAS Registry Number

2426-46-2

SMILES

O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C6H10O6/c7-2-1-12-6(11)5(10)4(9)3(2)8/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1

InChI Key

WTXGYGWMPUGBAL-MGCNEYSASA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Lactones

Sub Class

Not Available

Direct Parent

Lactones

Alternative Parents

Substituents

Caprolactone
Oxepane
Carboxylic acid ester
Lactone
Secondary alcohol
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Oxacycle
Polyol
Hydrocarbon derivative
Organic oxide
Alcohol
Organooxygen compound
Organic oxygen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0002541)

Source

Endogenous

Endogenous (HMDB: HMDB0002541)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	583 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-2.7	ChemAxon
logS	0.51	ALOGPS
pKa (Strongest Acidic)	11.61	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	107.22 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	34.78 m³·mol⁻¹	ChemAxon
Polarizability	14.99 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	139.085	31661259
DarkChem	[M-H]-	134.094	31661259
DeepCCS	[M+H]+	137.99	30932474
DeepCCS	[M-H]-	135.594	30932474
DeepCCS	[M-2H]-	170.168	30932474
DeepCCS	[M+Na]+	144.718	30932474
AllCCS	[M+H]+	139.8	32859911
AllCCS	[M+H-H2O]+	135.4	32859911
AllCCS	[M+NH4]+	143.9	32859911
AllCCS	[M+Na]+	145.0	32859911
AllCCS	[M-H]-	129.6	32859911
AllCCS	[M+Na-2H]-	130.5	32859911
AllCCS	[M+HCOO]-	131.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Galactonolactone	O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O	3335.7	Standard polar	33892256
Galactonolactone	O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O	1822.9	Standard non polar	33892256
Galactonolactone	O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O	1723.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Galactonolactone,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O	1655.8	Semi standard non polar	33892256
Galactonolactone,1TMS,isomer #2	C[Si](C)(C)O[C@H]1C(=O)OC[C@@H](O)[C@H](O)[C@@H]1O	1690.0	Semi standard non polar	33892256
Galactonolactone,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)COC(=O)[C@@H]1O	1705.3	Semi standard non polar	33892256
Galactonolactone,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)COC(=O)[C@H](O)[C@H]1O	1692.8	Semi standard non polar	33892256
Galactonolactone,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C(=O)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	1771.6	Semi standard non polar	33892256
Galactonolactone,2TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)COC(=O)[C@@H]1O	1769.5	Semi standard non polar	33892256
Galactonolactone,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	1740.6	Semi standard non polar	33892256
Galactonolactone,2TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)OC[C@H]1O	1786.1	Semi standard non polar	33892256
Galactonolactone,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)COC(=O)[C@@H]1O[Si](C)(C)C	1758.1	Semi standard non polar	33892256
Galactonolactone,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)COC(=O)[C@H](O)[C@H]1O[Si](C)(C)C	1768.5	Semi standard non polar	33892256
Galactonolactone,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C(=O)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	1830.4	Semi standard non polar	33892256
Galactonolactone,3TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)COC(=O)[C@@H]1O[Si](C)(C)C	1832.6	Semi standard non polar	33892256
Galactonolactone,3TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)COC(=O)[C@H](O)[C@H]1O[Si](C)(C)C	1795.8	Semi standard non polar	33892256
Galactonolactone,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)OC[C@H]1O	1836.5	Semi standard non polar	33892256
Galactonolactone,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)OC[C@H]1O[Si](C)(C)C	1867.3	Semi standard non polar	33892256
Galactonolactone,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O	1921.5	Semi standard non polar	33892256
Galactonolactone,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C(=O)OC[C@@H](O)[C@H](O)[C@@H]1O	1924.1	Semi standard non polar	33892256
Galactonolactone,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)COC(=O)[C@@H]1O	1945.1	Semi standard non polar	33892256
Galactonolactone,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)COC(=O)[C@H](O)[C@H]1O	1947.5	Semi standard non polar	33892256
Galactonolactone,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C(=O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	2236.0	Semi standard non polar	33892256
Galactonolactone,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)COC(=O)[C@@H]1O	2223.0	Semi standard non polar	33892256
Galactonolactone,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2209.9	Semi standard non polar	33892256
Galactonolactone,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC[C@H]1O	2255.5	Semi standard non polar	33892256
Galactonolactone,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)COC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C	2204.4	Semi standard non polar	33892256
Galactonolactone,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)COC(=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2226.3	Semi standard non polar	33892256
Galactonolactone,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C(=O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2507.5	Semi standard non polar	33892256
Galactonolactone,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)COC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C	2493.7	Semi standard non polar	33892256
Galactonolactone,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)COC(=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2478.9	Semi standard non polar	33892256
Galactonolactone,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC[C@H]1O	2494.7	Semi standard non polar	33892256
Galactonolactone,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC[C@H]1O[Si](C)(C)C(C)(C)C	2707.0	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Galactonolactone GC-MS (Non-derivatized) - 70eV, Positive	splash10-06rl-9400000000-9e4502053b3fe09f123e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galactonolactone GC-MS (4 TMS) - 70eV, Positive	splash10-0kou-3279300000-1418a34fa3efbbb205d1	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galactonolactone GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactonolactone 10V, Positive-QTOF	splash10-01t9-0900000000-685a5dbb4f8a7102dcc5	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactonolactone 20V, Positive-QTOF	splash10-03fr-2900000000-83611a0f9b640623ac24	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactonolactone 40V, Positive-QTOF	splash10-0a4i-9200000000-fbfa10412acfeb6c4811	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactonolactone 10V, Negative-QTOF	splash10-004i-1900000000-61baef021fc455ee67ea	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactonolactone 20V, Negative-QTOF	splash10-056r-2900000000-9c6963bd735f92051d97	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactonolactone 40V, Negative-QTOF	splash10-0a4i-9100000000-4f71f72cc2972d6c238b	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactonolactone 10V, Positive-QTOF	splash10-004i-0900000000-4af21996c208dcba14ab	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactonolactone 20V, Positive-QTOF	splash10-03fu-9500000000-ac5d2741d49de16a664a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactonolactone 40V, Positive-QTOF	splash10-0btc-9000000000-0a9b1531d89f4242cbcb	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactonolactone 10V, Negative-QTOF	splash10-004i-1900000000-9622261df6835436c4f0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactonolactone 20V, Negative-QTOF	splash10-0abc-9200000000-3d5e0ea9ad8151fc6cc0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactonolactone 40V, Negative-QTOF	splash10-0a4l-9000000000-8c8e168512fbb0f52fa3	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023025

KNApSAcK ID

Not Available

Chemspider ID

133098

KEGG Compound ID

C03383

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

6712

PubChem Compound

151006

PDB ID

Not Available

ChEBI ID

15895

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Chiocconi Alejandro; Marino Carla; Otal Eugenio; de Lederkremer Rosa M Photoinduced electron transfer and chemical alpha-deoxygenation of D-galactono-1,4-lactone. Synthesis of 2-deoxy-D-lyxo-hexofuranosides. Carbohydrate research (2002), 337(21-23), 2119-26.

Material Safety Data Sheet (MSDS)

Not Available

General References

Rakotomanga S, Baillet A, Pellerin F, Baylocq-Ferrier D: Simultaneous determination of gluconolactone, galactonolactone and galactitol in urine by reversed-phase liquid chromatography: application to galactosemia. J Chromatogr. 1991 Oct 4;570(2):277-84. [PubMed:1797843 ]
Gates SC, Sweeley CC, Krivit W, DeWitt D, Blaisdell BE: Automated metabolic profiling of organic acids in human urine. II. Analysis of urine samples from "healthy" adults, sick children, and children with neuroblastoma. Clin Chem. 1978 Oct;24(10):1680-9. [PubMed:699273 ]

Showing metabocard for Galactonolactone (HMDB0002541)

MOL for HMDB0002541 (Galactonolactone)

3D MOL for HMDB0002541 (Galactonolactone)

3D SDF for HMDB0002541 (Galactonolactone)

3D-SDF for HMDB0002541 (Galactonolactone)

PDB for HMDB0002541 (Galactonolactone)

3D PDB for HMDB0002541 (Galactonolactone)

SMILES for HMDB0002541 (Galactonolactone)

INCHI for HMDB0002541 (Galactonolactone)

Structure for HMDB0002541 (Galactonolactone)

3D Structure for HMDB0002541 (Galactonolactone)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra