Livestock Metabolome Database: Showing metabocard for Galactose 1-phosphate (LMDB00203)

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-07-13 19:44:38 UTC

Update Date

2016-07-20 20:31:04 UTC

Lmdb

LMDB00203

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Galactose 1-phosphate

Description

Galactose 1-phosphate, also known as alpha-D-gal-1-p or α-D-gal-1-p, belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. A D-Galactose 1-phosphate having alpha-configuration at the anomeric centre. Galactose 1-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Galactose 1-phosphate exists in all living species, ranging from bacteria to humans. Within humans, galactose 1-phosphate participates in a number of enzymatic reactions. In particular, galactose 1-phosphate can be biosynthesized from D-galactose through the action of the enzyme galactokinase. In addition, galactose 1-phosphate and uridine diphosphate glucose can be biosynthesized from uridine diphosphategalactose and glucose 1-phosphate through its interaction with the enzyme galactose-1-phosphate uridylyltransferase. In humans, galactose 1-phosphate is involved in galactose metabolism. Outside of the human body, Galactose 1-phosphate is found, on average, in the highest concentration within milk (cow). Galactose 1-phosphate has also been detected, but not quantified in, milk and milk products. This could make galactose 1-phosphate a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-O-Phosphono-alpha-D-galactopyranose	ChEBI
alpha-D-Gal-1-p	ChEBI
alpha-D-Galactopyranose 1-phosphate	ChEBI
alpha-D-Galactopyranose, 1-(dihydrogen phosphate)	ChEBI
alpha-D-Galactopyranosyl phosphate	ChEBI
alpha-D-Galactosyl phosphate	ChEBI
Galactose-1-phosphate	ChEBI
1-O-Phosphono-a-D-galactopyranose	Generator
1-O-Phosphono-α-D-galactopyranose	Generator
a-D-Gal-1-p	Generator
Α-D-gal-1-p	Generator
a-D-Galactopyranose 1-phosphate	Generator
a-D-Galactopyranose 1-phosphoric acid	Generator
alpha-D-Galactopyranose 1-phosphoric acid	Generator
Α-D-galactopyranose 1-phosphate	Generator
Α-D-galactopyranose 1-phosphoric acid	Generator
a-D-Galactopyranose, 1-(dihydrogen phosphate)	Generator
a-D-Galactopyranose, 1-(dihydrogen phosphoric acid)	Generator
alpha-D-Galactopyranose, 1-(dihydrogen phosphoric acid)	Generator
Α-D-galactopyranose, 1-(dihydrogen phosphate)	Generator
Α-D-galactopyranose, 1-(dihydrogen phosphoric acid)	Generator
a-D-Galactopyranosyl phosphate	Generator
a-D-Galactopyranosyl phosphoric acid	Generator
alpha-D-Galactopyranosyl phosphoric acid	Generator
Α-D-galactopyranosyl phosphate	Generator
Α-D-galactopyranosyl phosphoric acid	Generator
a-D-Galactosyl phosphate	Generator
a-D-Galactosyl phosphoric acid	Generator
alpha-D-Galactosyl phosphoric acid	Generator
Α-D-galactosyl phosphate	Generator
Α-D-galactosyl phosphoric acid	Generator
Galactose-1-phosphoric acid	Generator
Galactose 1-phosphoric acid	Generator
a-D-Galactose-1-phosphate	HMDB
a-D-Galactose-1-phosphoric acid	HMDB
alpha-D-Galactose-1-phosphoric acid	HMDB
Α-D-galactose-1-phosphate	HMDB
Α-D-galactose-1-phosphoric acid	HMDB
Galactose-1-phosphate, (beta-L-gal)-isomer	HMDB
Galactose-1-phosphate, 14C-labeled	HMDB
Galactose-1-phosphate, disilver (+1) salt, (D-gal)-isomer	HMDB
Galactose-1-phosphate, sodium salt	HMDB
Galactose-1-phosphate, (beta-D-gal)-isomer	HMDB
1-(Dihydrogen phosphate) galactitol	HMDB
1-Phosphate a-D-galactopyranose	HMDB
a-D-1-(Dihydrogen phosphate) galactopyranose	HMDB
a-D-Galactose 1-phosphate	HMDB
alpha-D-1-(Dihydrogen phosphate) galactopyranose	HMDB
alpha-D-Galactose 1-phosphate	HMDB
D-Galactose 1-phosphate	HMDB
Galactopyranose 1-phosphate	HMDB
D-Galactopyranose 1-phosphate	HMDB
D-Galactopyranose 1-phosphoric acid	HMDB
D-Galactose 1-phosphoric acid	HMDB

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

260.029718526

IUPAC Name

{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid

Traditional Name

galactose 1 phosphate

CAS Registry Number

2255-14-3

SMILES

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

InChI Identifier

InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1

InChI Key

HXXFSFRBOHSIMQ-FPRJBGLDSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharide phosphates

Alternative Parents

Substituents

Hexose monosaccharide
Monosaccharide phosphate
Monoalkyl phosphate
Organic phosphoric acid derivative
Oxane
Alkyl phosphate
Phosphoric acid ester
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Alcohol
Hydrocarbon derivative
Primary alcohol
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-galactopyranose 1-phosphate (CHEBI:17973 )
alpha-D-hexose 1-phosphate (CHEBI:17973 )

Ontology

Status

Detected and Quantified

Origin

Not Available

Biofunction

Not Available

Application

Not Available

Cellular locations

Not Available

Physical Properties

State

Not Available

Experimental 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

Predicted Properties

Property	Value	Source
logP	-2	ALOGPS
logP	-3.1	ChemAxon
logS	-0.91	ALOGPS
pKa (Strongest Acidic)	1.16	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	156.91 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	46.8 m³·mol⁻¹	ChemAxon
Polarizability	20.62 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9110000000-ee60e23a7f8053dae6d3	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive	splash10-0fsi-5901370000-80b5e0114d382bd45e3f	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_2) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_3) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_5) - 70eV, Positive	Not Available	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-004i-9030000000-7fff706c8ccfa4e8ee82	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-004i-9030000000-7ea4c16f3c1f90045b95	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , negative	splash10-0002-9000000000-d23bc07bd7bdf7ddce46	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-03dl-1970000000-880e9f60970f0816b8c4	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-001i-0920000000-2cbd9f1121176bb271ef	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 1V, positive	splash10-0002-0090000000-f7a9704c507f87576963	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 2V, positive	splash10-0002-0190000000-190752fd0e6fc6923351	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 4V, positive	splash10-0f72-0490000000-14a970b0e103aee3ac86	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 5V, positive	splash10-000i-0950000000-791dd70d946defe0237d	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 3V, positive	splash10-001r-0890000000-7333cc4fec9c480da18b	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 5V, positive	splash10-000i-0920000000-b0116f36e8c1774e674f	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-000i-0900000000-ce07a8268e9be0a752ea	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-004l-9000000000-771382b82d73a025b900	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-03di-0900000000-75b95578eec10c7fb1a0	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-00di-0900000000-efd4d199381342fcfd6e	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-014i-0900000000-59a34fd931d5d3eb02ad	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-0f6t-0290000000-e0994816c9da10e9884b	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-004i-0190000000-0871936f57509fe1ab16	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 7V, positive	splash10-00di-0049000000-b5229bec94bbe9e0fe04	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9240000000-4057005941a73b47e92b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9240000000-2b520b8d7520453613e5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9100000000-adafd3ed58bf5371e4a1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a6s-9480000000-6d21f499da6e13bbe38d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9110000000-68aeffe1ebca2d4d4362	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-dfc211275bafe42581ae	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum

Biological Properties

Cellular Locations

Not Available

Biofluid Locations and Tissue Locations

Milk

Concentrations

Biofluid	Status	Value	Condition	Species	Reference	Details
Milk	Detected but not Quantified	Not Applicable	Not Available	Bovine	23497994	details
Milk	Detected but not Quantified	Not Applicable	Not Available	Bovine	23738862	details
Milk	Detected but not Quantified	Not Applicable	Not Available	Bovine	25087032	details
Milk	Detected and Quantified	561-2070 uM	Not Available	Bovine	22098372	details