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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-06-02 19:07:47 UTC

Update Date

2021-10-13 05:35:02 UTC

HMDB ID

HMDB0012327

Secondary Accession Numbers

HMDB12327

Metabolite Identification

Common Name

2-Deoxygalactopyranose

Description

2-Deoxygalactopyranose is an optical isomer of 2-deoxyglucose, which has the 2-hydroxyl group replaced by hydrogen. 2-deoxygalactose inhibits galactose uptake and oxidation in galactose-grown cells. Similar to galactose,. 2-deoxyglucose, and D-fucose, 2-deoxygalactose induces uptake of H+ when the sugar is added to anaerobic wild-type cells that contain the galactose transport system, whereas the maximal rate of uptake is one-half to one-third of that of galactose. 2-Deoxygalactose is a specific substrate of the galactose permease. None of the other galactose transport systems, including methyl beta-D-thiogalactosides I and II, the beta-methyl-galactoside permease, and both arabinose systems, is able to catalyze transport of 2-deoxygalactose to a significant extent. 2-Deoxygalactose can also be used to isolate mutants defective in galactose permease, since it is bacteriostatic.

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Deoxy-D-galactose	ChEBI
2-Deoxygalactose	ChEBI
2-Deoxy-D-galactopyranose	HMDB
2-Deoxy-D-lyxo-hexopyranose	HMDB
alpha Fucose	MeSH, HMDB
alpha-Fucose	MeSH, HMDB
Deoxygalactose	MeSH, HMDB
Fucose	MeSH, HMDB

Chemical Formula

C₆H₁₂O₅

Average Molecular Weight

164.1565

Monoisotopic Molecular Weight

164.068473494

IUPAC Name

(4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol

Traditional Name

(4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol

CAS Registry Number

25494-04-6

SMILES

OC[C@H]1OC(O)C[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6-/m1/s1

InChI Key

PMMURAAUARKVCB-DUVQVXGLSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexoses

Alternative Parents

Substituents

Hexose monosaccharide
Oxane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Deoxy sugars (C02781 )

Ontology

Not Available

Endogenous (HMDB: HMDB0012327)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
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)

Equine

Horse (FooDB: FOOD00378)

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)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	456.70 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	1000000 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	-3.070 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	984 g/L	ALOGPS
logP	-2.5	ALOGPS
logP	-2	ChemAxon
logS	0.78	ALOGPS
pKa (Strongest Acidic)	12.29	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	90.15 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	34.41 m³·mol⁻¹	ChemAxon
Polarizability	15.46 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]+	135.01	31661259
DarkChem	[M-H]-	130.984	31661259
DeepCCS	[M+H]+	136.837	30932474
DeepCCS	[M-H]-	134.586	30932474
DeepCCS	[M-2H]-	169.354	30932474
DeepCCS	[M+Na]+	143.67	30932474
AllCCS	[M+H]+	136.9	32859911
AllCCS	[M+H-H2O]+	132.5	32859911
AllCCS	[M+NH4]+	141.1	32859911
AllCCS	[M+Na]+	142.3	32859911
AllCCS	[M-H]-	128.6	32859911
AllCCS	[M+Na-2H]-	129.9	32859911
AllCCS	[M+HCOO]-	131.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2-Deoxygalactopyranose	OC[C@H]1OC(O)C[C@@H](O)[C@H]1O	3012.0	Standard polar	33892256
2-Deoxygalactopyranose	OC[C@H]1OC(O)C[C@@H](O)[C@H]1O	1613.0	Standard non polar	33892256
2-Deoxygalactopyranose	OC[C@H]1OC(O)C[C@@H](O)[C@H]1O	1471.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2-Deoxygalactopyranose,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(O)C[C@@H](O)[C@H]1O	1602.2	Semi standard non polar	33892256
2-Deoxygalactopyranose,1TMS,isomer #2	C[Si](C)(C)OC1C[C@@H](O)[C@@H](O)[C@@H](CO)O1	1617.1	Semi standard non polar	33892256
2-Deoxygalactopyranose,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1CC(O)O[C@H](CO)[C@@H]1O	1606.9	Semi standard non polar	33892256
2-Deoxygalactopyranose,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@H](O)CC(O)O[C@@H]1CO	1594.4	Semi standard non polar	33892256
2-Deoxygalactopyranose,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)C[C@@H](O)[C@H]1O	1626.8	Semi standard non polar	33892256
2-Deoxygalactopyranose,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(O)C[C@@H](O[Si](C)(C)C)[C@H]1O	1637.4	Semi standard non polar	33892256
2-Deoxygalactopyranose,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(O)C[C@@H](O)[C@H]1O[Si](C)(C)C	1607.6	Semi standard non polar	33892256
2-Deoxygalactopyranose,2TMS,isomer #4	C[Si](C)(C)OC1C[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O1	1609.3	Semi standard non polar	33892256
2-Deoxygalactopyranose,2TMS,isomer #5	C[Si](C)(C)OC1C[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O1	1643.1	Semi standard non polar	33892256
2-Deoxygalactopyranose,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](CO)OC(O)C[C@H]1O[Si](C)(C)C	1588.3	Semi standard non polar	33892256
2-Deoxygalactopyranose,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)[C@H]1O	1678.8	Semi standard non polar	33892256
2-Deoxygalactopyranose,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)C[C@@H](O)[C@H]1O[Si](C)(C)C	1692.6	Semi standard non polar	33892256
2-Deoxygalactopyranose,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(O)C[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	1650.2	Semi standard non polar	33892256
2-Deoxygalactopyranose,3TMS,isomer #4	C[Si](C)(C)OC1C[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O1	1636.4	Semi standard non polar	33892256
2-Deoxygalactopyranose,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	1717.0	Semi standard non polar	33892256
2-Deoxygalactopyranose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)C[C@@H](O)[C@H]1O	1853.1	Semi standard non polar	33892256
2-Deoxygalactopyranose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C[C@@H](O)[C@@H](O)[C@@H](CO)O1	1853.6	Semi standard non polar	33892256
2-Deoxygalactopyranose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1CC(O)O[C@H](CO)[C@@H]1O	1841.4	Semi standard non polar	33892256
2-Deoxygalactopyranose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)CC(O)O[C@@H]1CO	1841.6	Semi standard non polar	33892256
2-Deoxygalactopyranose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@H]1O	2069.0	Semi standard non polar	33892256
2-Deoxygalactopyranose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2075.2	Semi standard non polar	33892256
2-Deoxygalactopyranose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)C[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2059.5	Semi standard non polar	33892256
2-Deoxygalactopyranose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O1	2070.9	Semi standard non polar	33892256
2-Deoxygalactopyranose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1	2093.0	Semi standard non polar	33892256
2-Deoxygalactopyranose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)OC(O)C[C@H]1O[Si](C)(C)C(C)(C)C	2057.2	Semi standard non polar	33892256
2-Deoxygalactopyranose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2317.6	Semi standard non polar	33892256
2-Deoxygalactopyranose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2328.1	Semi standard non polar	33892256
2-Deoxygalactopyranose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	2326.9	Semi standard non polar	33892256
2-Deoxygalactopyranose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1	2313.2	Semi standard non polar	33892256
2-Deoxygalactopyranose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	2556.7	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 - 2-Deoxygalactopyranose GC-MS (Non-derivatized) - 70eV, Positive	splash10-000y-9500000000-1dd63af9d5c88579c773	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Deoxygalactopyranose GC-MS (4 TMS) - 70eV, Positive	splash10-0fbi-9457500000-3209b7e1fc11efc7490b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Deoxygalactopyranose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Deoxygalactopyranose 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 - 2-Deoxygalactopyranose 10V, Positive-QTOF	splash10-014j-0900000000-0dc650a397e8c7b1d399	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Deoxygalactopyranose 20V, Positive-QTOF	splash10-00mk-3900000000-16c36b909df5ddf5684d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Deoxygalactopyranose 40V, Positive-QTOF	splash10-05dm-9100000000-e5a5c9e9bf3a8931c5d7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Deoxygalactopyranose 10V, Negative-QTOF	splash10-03di-1900000000-921ea67907cab90f2f8f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Deoxygalactopyranose 20V, Negative-QTOF	splash10-08fs-7900000000-4cec920b05a3b679d139	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Deoxygalactopyranose 40V, Negative-QTOF	splash10-0006-9000000000-b986f5de02e6eb67f3d0	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Deoxygalactopyranose 10V, Positive-QTOF	splash10-004i-0900000000-6a825258a26550998fa9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Deoxygalactopyranose 20V, Positive-QTOF	splash10-05xs-9700000000-e7f7cadc097fcc73f101	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Deoxygalactopyranose 40V, Positive-QTOF	splash10-052b-9000000000-6f4d5566a761ecc05441	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Deoxygalactopyranose 10V, Negative-QTOF	splash10-03di-4900000000-5a1e28bf26404acffb6a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Deoxygalactopyranose 20V, Negative-QTOF	splash10-0a4l-9100000000-f9298acb4c7316591719	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Deoxygalactopyranose 40V, Negative-QTOF	splash10-0006-9000000000-77c0ac008b492684928d	2021-09-22	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

Biological Properties

Cellular Locations

Not Available

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

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

439804

PDB ID

Not Available

ChEBI ID

90759

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1175011

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Mao YY, Bai JQ, Chen JH, Shou ZF, He Q, Wu JY, Chen Y, Cheng YY: A pilot study of GC/MS-based serum metabolic profiling of acute rejection in renal transplantation. Transpl Immunol. 2008 Apr;19(1):74-80. doi: 10.1016/j.trim.2008.01.006. Epub 2008 Feb 22. [PubMed:18346641 ]
Postma PW, Keizer HG, Koolwijk P: Transport of trehalose in Salmonella typhimurium. J Bacteriol. 1986 Dec;168(3):1107-11. [PubMed:3023298 ]
Thienen GM, Postma PW, Dam KV: Proton movements coupled to sugar transport via the galactose transport system in Salmonella typhimurium. Eur J Biochem. 1977 Mar 1;73(2):521-7. [PubMed:14832 ]

Showing metabocard for 2-Deoxygalactopyranose (HMDB0012327)

MOL for HMDB0012327 (2-Deoxygalactopyranose)

3D MOL for HMDB0012327 (2-Deoxygalactopyranose)

3D SDF for HMDB0012327 (2-Deoxygalactopyranose)

3D-SDF for HMDB0012327 (2-Deoxygalactopyranose)

PDB for HMDB0012327 (2-Deoxygalactopyranose)

3D PDB for HMDB0012327 (2-Deoxygalactopyranose)

SMILES for HMDB0012327 (2-Deoxygalactopyranose)

INCHI for HMDB0012327 (2-Deoxygalactopyranose)

Structure for HMDB0012327 (2-Deoxygalactopyranose)

3D Structure for HMDB0012327 (2-Deoxygalactopyranose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra