D-Mannose 1-Phosphate
Basic information
- CAS
27251-84-9- Standard SMILES
O=P(O)(O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O- InChIKey
HXXFSFRBOHSIMQ-QTVWNMPRSA-N- Molecular formula
- C6H13O9P
- Average molar mass
- 260.14 g/mol
- Monoisotopic mass
- 260.02971899
Overview
D-mannose 1-phosphate is a mannose phosphate that is D-mannose carrying a phosphate group at position 1. It has a role as a human metabolite and a fundamental metabolite. It is functionally related to a D-mannopyranose.
Names & identifiers
- Preferred name
- D-Mannose 1-Phosphate
- IUPAC
- [(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
- English name
- [(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid
- Molecular formula
- C6H13O9P
- Molecular weight
- 260.14
Names & synonyms
D-Mannose 1-phosphateMannose 1-phosphate27251-84-9CHEBI:35374D-mannose 1-phosphatesD-mannopyranose 1-(dihydrogen phosphate){[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid(((3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)phosphonic acidRefChem:584330D-Mannose, 1-(dihydrogen phosphate)[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphateDTXSID60949986
Show more names
MANNOSE PHOSPHATEMannosyl phosphateMannose-1-phosphate-13C[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid
Man-1-PEpitope ID:145013D-Mannopyranose, 1-phosphateSCHEMBL2847411-O-Phosphono-D-mannopyranoseorb1982175DB02867HY-16304
Database identifiers
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
Collision Cross Section143.99 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physicochemical properties
- Boiling point
- 603 · 603.0±65.0 °C(Predicted)
- Density
- 1.9 · 1.90±0.1 g/cm3(Predicted)
- pka
- 1.73 · 1.73±0.10(Predicted)
Chemistry & industry
Applications
UsesMannose 1-phosphate is an endogenous metabolite. Mannose 1-phosphate can be used to synthesize GDP-Man by the enzyme GDP-mannose pyrophosphorylase[1].
Additional notes
DefinitionChEBI: D-mannose 1-phosphate is a mannose phosphate that is D-mannose carrying a phosphate group at position 1. It has a role as a fundamental metabolite and a human metabolite. It is functionally related to a D-mannopyranose.
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