Showing Compound alpha-D-Galactopyranose 1-dihydrogen phosphate (FDB001159)

Record Information

Version

1.0

Creation date

2010-04-08 22:04:51 UTC

Update date

2019-11-26 02:56:02 UTC

Primary ID

FDB001159

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

alpha-D-Galactopyranose 1-dihydrogen phosphate

Description

Occurs in liver, milk, and yeasts Galactose 1-phosphate is an intermediate in the Galactose metabolism; and Nucleotide sugars metabolism pathways (KEGG); Galactose-1-phosphate is an intermediate in the intraconversion of glucose and galactose. It is formed from galactose by galactokinase. (Wikipeida); Galactose-1-phosphate is an intermediate in the intraconversion of glucose and galactose. alpha-D-Galactopyranose 1-dihydrogen phosphate is found in milk and milk products and animal foods.

CAS Number

2255-14-3

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	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
1-(Dihydrogen ate) galactitol	HMDB
1-(dihydrogen phosphate) Galactitol	biospider
1-ate a-D-Galactopyranose	HMDB
1-O-ONO-a-D-Galactopyranose	Generator
1-O-ONO-alpha-D-Galactopyranose	ChEBI
1-O-ONO-α-D-galactopyranose	Generator
1-phosphate a-D-Galactopyranose	biospider
a-D-1-(Dihydrogen ate) galactopyranose	HMDB
a-D-1-(dihydrogen phosphate) Galactopyranose	biospider
a-D-Gal-1-P	Generator
a-D-Galactopyranose 1-ate	Generator
a-D-Galactopyranose 1-ic acid	Generator
a-D-Galactopyranose, 1-(dihydrogen ate)	Generator
a-D-Galactopyranose, 1-(dihydrogen ic acid)	Generator
a-D-Galactopyranosyl ate	Generator
a-D-Galactopyranosyl ic acid	Generator
A-d-galactopyranosyl phosphate	biospider
a-D-Galactose 1-ate	Generator
a-D-Galactose 1-ic acid	Generator
a-D-Galactosyl ate	Generator
a-D-Galactosyl ic acid	Generator
A-d-galactosyl phosphate	biospider
alpha-D-1-(Dihydrogen ate) galactopyranose	HMDB
alpha-D-1-(dihydrogen phosphate) Galactopyranose	biospider
alpha-D-Gal-1-P	ChEBI
alpha-D-Galactopyranose 1-ate	ChEBI
alpha-D-Galactopyranose 1-ic acid	Generator
alpha-D-Galactopyranose, 1-(dihydrogen ate)	ChEBI
alpha-D-Galactopyranose, 1-(dihydrogen ic acid)	Generator
alpha-D-Galactopyranosyl ate	ChEBI
alpha-D-Galactopyranosyl ic acid	Generator
Alpha-d-galactopyranosyl phosphate	biospider
alpha-D-Galactose 1-ate	ChEBI
alpha-D-Galactose 1-ic acid	Generator
alpha-D-Galactosyl ate	ChEBI
alpha-D-Galactosyl ic acid	Generator
Alpha-d-galactosyl phosphate	biospider
Cori ester	biospider
D-Galactose 1-ate	HMDB
Galactopyranose 1-ate	HMDB
Galactose 1-ate	HMDB
Galactose 1-phosphate	biospider
Galactose 1-phosphic acid	biospider
Galactose-1-ate	ChEBI
Galactose-1-ic acid	Generator
α-D-gal-1-P	Generator
α-D-galactopyranose 1-ate	Generator
α-D-galactopyranose 1-ic acid	Generator
α-D-galactopyranose, 1-(dihydrogen ate)	Generator
α-D-galactopyranose, 1-(dihydrogen ic acid)	Generator
α-D-galactopyranosyl ate	Generator
α-D-galactopyranosyl ic acid	Generator
α-D-galactose 1-ate	Generator
α-D-galactose 1-ic acid	Generator
α-D-galactosyl ate	Generator
α-D-galactosyl ic acid	Generator

Predicted Properties

Property	Value	Source
Water Solubility	32.3 g/L	ALOGPS
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	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

C6H13O9P

IUPAC name

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

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)

InChI Key

HXXFSFRBOHSIMQ-UHFFFAOYSA-N

Isomeric SMILES

OCC1OC(OP(O)(O)=O)C(O)C(O)C1O

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

260.029718526

Classification

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

No ontology term

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Solid
Physical Description	Not Available
Mass Composition	C 27.70%; H 5.04%; O 55.35%; P 11.91%	DFC
Melting Point	Not Available
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	[a]25D +143 (H2O)	DFC
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	α-D-galactose 1-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0002-9110000000-ee60e23a7f8053dae6d3	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0fsi-5901370000-80b5e0114d382bd45e3f	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_1_1, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_1_2, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_1_3, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_1_4, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_1_5, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_2_1, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_2_2, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_2_3, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_2_4, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_2_5, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_2_6, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_2_7, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_2_8, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_2_9, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_2_10, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_2_11, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_3_1, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_3_2, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_3_3, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_3_4, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	α-D-galactose 1-phosphate, TMS_3_5, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-004i-9030000000-7fff706c8ccfa4e8ee82	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-004i-9030000000-7ea4c16f3c1f90045b95	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - , negative	splash10-0002-9000000000-d23bc07bd7bdf7ddce46	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-03dl-1970000000-880e9f60970f0816b8c4	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-001i-0920000000-2cbd9f1121176bb271ef	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 1V, positive	splash10-0002-0090000000-f7a9704c507f87576963	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 2V, positive	splash10-0002-0190000000-190752fd0e6fc6923351	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 4V, positive	splash10-0f72-0490000000-14a970b0e103aee3ac86	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 5V, positive	splash10-000i-0950000000-791dd70d946defe0237d	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 3V, positive	splash10-001r-0890000000-7333cc4fec9c480da18b	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 5V, positive	splash10-000i-0920000000-b0116f36e8c1774e674f	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-000i-0900000000-ce07a8268e9be0a752ea	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-004l-9000000000-771382b82d73a025b900	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-03di-0900000000-75b95578eec10c7fb1a0	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-00di-0900000000-efd4d199381342fcfd6e	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-014i-0900000000-59a34fd931d5d3eb02ad	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-0f6t-0290000000-e0994816c9da10e9884b	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - n/a 18V, positive	splash10-004i-0190000000-0871936f57509fe1ab16	2020-07-22	View Spectrum
MS/MS	LC-MS/MS Spectrum - Orbitrap 7V, positive	splash10-00di-0049000000-b5229bec94bbe9e0fe04	2020-07-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9240000000-4057005941a73b47e92b	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9240000000-2b520b8d7520453613e5	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9100000000-adafd3ed58bf5371e4a1	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a6s-9480000000-6d21f499da6e13bbe38d	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9110000000-68aeffe1ebca2d4d4362	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-dfc211275bafe42581ae	2015-09-15	View Spectrum