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Record Information

Version

2.0

Creation Date

2012-05-31 14:09:56 -0600

Update Date

2015-06-03 15:54:55 -0600

Secondary Accession Numbers

ECMDB06873

Identification

Name:

D-Tagatose 6-phosphate

Description

D-Tagatose 6-phosphate is an intermediate in galactose metabolism.

Structure

MOL SDF PDB SMILES InChI

Synonyms:

6-O-Phosphono-D-tagatofuranose
D-Tagatofuranose 6-(dihydrogen phosphate)
D-Tagatofuranose 6-(dihydrogen phosphoric acid)
D-tagatose 6-phosphate
D-Tagatose 6-phosphoric acid
Tagatose6P

Chemical Formula:

C₆H₁₃O₉P

Weight:

Average: 260.1358
Monoisotopic: 260.029718526

InChI Key:

BGWGXPAPYGQALX-OEXCPVAWSA-N

InChI:

InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6?/m1/s1

CAS number:

Not Available

IUPAC Name:

{[(2R,3R,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid

Traditional IUPAC Name:

D-tagatose 6-phosphate

SMILES:

OCC1(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O

Chemical Taxonomy

Description

belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentose phosphates

Alternative Parents

Substituents

Pentose phosphate
Pentose-5-phosphate
C-glycosyl compound
Glycosyl compound
Monosaccharide phosphate
Monoalkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Alkyl phosphate
Tetrahydrofuran
Secondary alcohol
Hemiacetal
Polyol
Organoheterocyclic compound
Oxacycle
Primary alcohol
Alcohol
Hydrocarbon derivative
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-tagatose 6-phosphate (CHEBI:4251 )

Physical Properties

State:

Solid

Charge:

-2

Melting point:

Not Available

Experimental Properties:

Property	Value	Source

Predicted Properties

Property	Value	Source
Water Solubility	33.4 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-2.9	ChemAxon
logS	-0.89	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	-3.5	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	4	ChemAxon
Refractivity	47.23 m³·mol⁻¹	ChemAxon
Polarizability	21.05 Å³	ChemAxon
Number of Rings	1	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:

SMPDB Pathways:

Galactose metabolism

PW000821

KEGG Pathways:

Galactose metabolism ec00052

EcoCyc Pathways:

galactitol degradation GALACTITOLCAT-PWY

Concentrations

Not Available

Spectra

Spectra:

Spectrum Type	Description	Splash Key
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-03dm-9630000000-086a5934be5be6969d4d	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive	splash10-0540-8097650000-bd7cf45abb555a5c08da	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-2980000000-6b021fc643037857d79c	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03dj-6950000000-9aeea6f58646b1ddfd2d	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00ds-9300000000-163fede30ff57a757356	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a6r-7390000000-3b9471399e651e34edcb	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-107d49541ec3b4b1213f	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-9182363b16cd6b3e720b	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-3090000000-7ae40fd439a28bd2393e	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9010000000-53fac253975be4bb66f7	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-a5e502a2627af2048a1f	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03dj-1790000000-cf4773c8e21b0c55570e	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9810000000-21980e2a6a612b295b9d	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000t-9000000000-a08dc200cb22f420d5bc	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:

Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882

Synthesis Reference:

Not Available

Material Safety Data Sheet (MSDS)

Not Available

Links

External Links:

Resource	Link
CHEBI ID	4251
HMDB ID	HMDB06873
Pubchem Compound ID	4332
Kegg ID	C01097
ChemSpider ID	388513
Wikipedia ID	Not Available
BioCyc ID	TAGATOSE-6-PHOSPHATE
EcoCyc ID	TAGATOSE-6-PHOSPHATE

Enzymes

Protein Details

1. 6-phosphofructokinase isozyme 2

General function:: Involved in phosphotransferase activity, alcohol group as acceptor
Specific function:: ATP + D-fructose 6-phosphate = ADP + D- fructose 1,6-bisphosphate
Gene Name:: pfkB
Uniprot ID:: P06999
Molecular weight:: 32456

Reactions

ATP + D-fructose 6-phosphate = ADP + D-fructose 1,6-bisphosphate.

Protein Details

2. 6-phosphofructokinase isozyme 1

General function:: Involved in ATP binding
Specific function:: ATP + D-fructose 6-phosphate = ADP + D- fructose 1,6-bisphosphate
Gene Name:: pfkA
Uniprot ID:: P0A796
Molecular weight:: 34842

Reactions

ATP + D-fructose 6-phosphate = ADP + D-fructose 1,6-bisphosphate.

Protein Details

3. Galactitol-1-phosphate 5-dehydrogenase

General function:: Involved in zinc ion binding
Specific function:: Converts galactitol 1-phosphate to tagatose 6-phosphate
Gene Name:: gatD
Uniprot ID:: P0A9S3
Molecular weight:: 37390

Reactions

Galactitol-1-phosphate + NAD(+) = L-tagatose 6-phosphate + NADH.

Protein Details

4. D-tagatose-1,6-bisphosphate aldolase subunit gatZ

General function:: Involved in catalytic activity
Specific function:: Component of the tagatose-1,6-bisphosphate aldolase gatYZ that is required for full activity and stability of the Y subunit. Could have a chaperone-like function for the proper and stable folding of gatY. When expressed alone, gatZ does not show any aldolase activity. Is involved in the catabolism of galactitol
Gene Name:: gatZ
Uniprot ID:: P0C8J8
Molecular weight:: 47108

Protein Details

5. D-tagatose-1,6-bisphosphate aldolase subunit kbaZ

General function:: Involved in catalytic activity
Specific function:: Component of the tagatose-1,6-bisphosphate aldolase kbaYZ that is required for full activity and stability of the Y subunit. Could have a chaperone-like function for the proper and stable folding of kbaY. When expressed alone, kbaZ does not show any aldolase activity
Gene Name:: kbaZ
Uniprot ID:: P0C8K0
Molecular weight:: 47192

Protein Details

6. Putative galactosamine-6-phosphate isomerase

General function:: Involved in carbohydrate metabolic process
Specific function:: D-galactosamine 6-phosphate + H(2)O = D- tagatose 6-phosphate + NH(3)
Gene Name:: agaI
Uniprot ID:: P42912
Molecular weight:: 27724

Reactions

D-galactosamine 6-phosphate + H(2)O = D-tagatose 6-phosphate + NH(3).

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D-Tagatose 6-phosphate (M2MDB000700)

Structure for #<Compound:0xad2df390>

Enzymes

Reactions

Reactions

Reactions

Reactions