Bovine Metabolome Database: Showing metabocard for D-Mannose 1-phosphate (BMDB0006330)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References enzymes (2) Show 2 proteins XML

Record Information

Version

1.0

Creation Date

2016-09-30 23:21:34 UTC

Update Date

2020-05-19 22:01:06 UTC

BMDB ID

BMDB0006330

Secondary Accession Numbers

BMDB06330

Metabolite Identification

Common Name

D-Mannose 1-phosphate

Description

D-D-d-mannose 1-phosphate, also known as d-mannose 1-phosphate, belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. D-D-d-mannose 1-phosphate is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). D-D-d-mannose 1-phosphate exists in all living species, ranging from bacteria to humans. D-D-d-mannose 1-phosphate participates in a number of enzymatic reactions, within cattle. In particular, D-D-d-mannose 1-phosphate can be converted into mannose 6-phosphate through its interaction with the enzyme phosphomannomutase 1. In addition, D-D-d-mannose 1-phosphate can be converted into guanosine diphosphate mannose through its interaction with the enzyme d-mannose 1-phosphatehosphate guanyltransferase beta. In cattle, D-d-mannose 1-phosphate is involved in the metabolic pathway called the fructose and mannose degradation pathway.

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
1-O-Phosphono-alpha-D-mannopyranose	ChEBI
alpha-D-Mannose 1-phosphate	Kegg
1-O-Phosphono-a-D-mannopyranose	Generator
1-O-Phosphono-α-D-mannopyranose	Generator
a-D-Mannose 1-phosphate	Generator
a-D-Mannose 1-phosphoric acid	Generator
alpha-D-Mannose 1-phosphoric acid	Generator
Α-D-mannose 1-phosphate	Generator
Α-D-mannose 1-phosphoric acid	Generator
D-Mannose 1-phosphoric acid	Generator
Mannose phosphate	HMDB
Mannosyl phosphate	HMDB
alpha-D-Mannopyranosyl phosphate	HMDB
Α-D-mannopyranosyl phosphate	HMDB
D-Mannose 1-phosphate	HMDB

Chemical Formula

C₆H₁₃O₉P

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

260.029718526

IUPAC Name

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

Traditional Name

α-D-mannose 1-phosphate

CAS Registry Number

27251-84-9

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-RWOPYEJCSA-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

alpha-D-hexose 1-phosphate (CHEBI:18205 )
D-mannose 1-phosphate (CHEBI:18205 )

Ontology

Status

Expected but not Quantified

Origin

Endogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Cytoplasm
Mitochondria

Physical Properties

State

Solid

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	20.79 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
GC-MS	GC-MS Spectrum - GC-MS (6 TMS)	splash10-014i-1893000000-0ec9e139257029be0d07	View in MoNA
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-014i-1893000000-0ec9e139257029be0d07	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9110000000-ee60e23a7f8053dae6d3	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ 10V, negative	splash10-0a4i-0090000000-2e5875c3e22b2e3a71a1	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ 20V, negative	splash10-052b-9040000000-89ecbcd295c6d0384f71	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ 30V, negative	splash10-002b-9000000000-14994c7e3eb1e8740c0c	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ 40V, negative	splash10-004j-9000000000-d9caf3d442b3d1049cb7	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ 50V, negative	splash10-004i-9000000000-d811f3fa31d259632f06	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 32V, negative	splash10-002b-9010000000-8a25a18fb090da386513	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 5V, negative	splash10-014i-0000090000-6be9a8a818482ea3cdc0	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 7V, negative	splash10-066r-0080090000-079a2526bc0a82c74128	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 10V, negative	splash10-0a4i-0090010000-67955d75fc73e364bf18	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 13V, negative	splash10-0a4i-0090000000-95f1d24de8e759cab1f5	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 17V, negative	splash10-0a4i-4090000000-d83cbd491021191292e0	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 21V, negative	splash10-052b-9040000000-0f0c04a19b0af9146da8	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 25V, negative	splash10-0002-9010000000-c9bc8b9da20017c781ab	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 29V, negative	splash10-002b-9000000000-227ba0ed92621a8da230	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 34V, negative	splash10-004j-9000000000-e52ce7e33a84536729c5	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 40V, negative	splash10-004j-9000000000-90073d80126ab47a6be6	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 48V, negative	splash10-004i-9000000000-ee9b279cec8affdff472	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - n/a 18V, negative	splash10-0a4i-0092300000-ec5386566d535bcfb5c4	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 3V, negative	splash10-0a4i-0090000000-487f81588e1cfed3c7c3	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9240000000-0a7885872856fe43526b	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9240000000-b437590c213fb263989d	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0532-9100000000-97504a02d14244b901cb	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a6r-9360000000-98c3aee1d36863dc12ab	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9110000000-92ad15ffc9eae3eed039	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-dfc211275bafe42581ae	View in MoNA
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer

Biological Properties

Cellular Locations

Cytoplasm
Mitochondria

Biospecimen Locations

Placenta

Pathways

Name	SMPDB/Pathwhiz	KEGG
Fructose and Mannose Degradation		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Placenta	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details

Abnormal Concentrations

Not Available

External Links

HMDB ID

HMDB0006330

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

Mannose_1-phosphate

METLIN ID

Not Available

PubChem Compound

439279

PDB ID

Not Available

ChEBI ID

18205

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. Mannose-1-phosphate guanyltransferase beta

General function:: Cell wall/membrane/envelope biogenesis
Specific function:: Catalyzes the formation of GDP-mannose, an essential precursor of glycan moieties of glycoproteins and glycolipids.
Gene Name:: GMPPB
Uniprot ID:: Q2YDJ9
Molecular weight:: 39837.0

Reactions

Guanosine triphosphate + D-Mannose 1-phosphate → Guanosine diphosphate mannose + Pyrophosphate	details

Enzyme Details

2. Phosphomannomutase 2

General function:: Involved in phosphomannomutase activity
Specific function:: Involved in the synthesis of the GDP-mannose and dolichol-phosphate-mannose required for a number of critical mannosyl transfer reactions.
Gene Name:: PMM2
Uniprot ID:: Q3SZJ9
Molecular weight:: 27997.0

Reactions

D-Mannose 1-phosphate → Mannose 6-phosphate	details

Showing metabocard for D-Mannose 1-phosphate (BMDB0006330)

Structure for BMDB0006330 (D-Mannose 1-phosphate)

Enzymes

Reactions

Reactions