Showing metabocard for 2-O-(6-Phospho-alpha-mannosyl)-D-glycerate (BMDB0012152)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:33:15 UTC
Update Date2020-04-22 15:48:45 UTC
BMDB IDBMDB0012152
Secondary Accession Numbers
  • BMDB12152
Metabolite Identification
Common Name2-O-(6-Phospho-alpha-mannosyl)-D-glycerate
Description2-O-(6-Phospho-alpha-mannosyl)-D-glycerate belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. 2-O-(6-Phospho-alpha-mannosyl)-D-glycerate exists in all living organisms, ranging from bacteria to humans. Based on a literature review very few articles have been published on 2-O-(6-Phospho-alpha-mannosyl)-D-glycerate.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerateKegg
2-O-(6-Phospho-a-D-mannosyl)-D-glycerateGenerator
2-O-(6-Phospho-a-D-mannosyl)-D-glyceric acidGenerator
2-O-(6-Phospho-alpha-D-mannosyl)-D-glyceric acidGenerator
2-O-(6-Phospho-α-D-mannosyl)-D-glycerateGenerator
2-O-(6-Phospho-α-D-mannosyl)-D-glyceric acidGenerator
2-O-(6-Phospho-a-mannosyl)-D-glycerateGenerator
2-O-(6-Phospho-a-mannosyl)-D-glyceric acidGenerator
2-O-(6-Phospho-alpha-mannosyl)-D-glyceric acidGenerator
2-O-(6-Phospho-α-mannosyl)-D-glycerateGenerator
2-O-(6-Phospho-α-mannosyl)-D-glyceric acidGenerator
2-O-(6-phospho-alpha-Mannosyl)-delta-glycerateHMDB
2-O-(6-phospho-alpha-Mannosyl)-delta-glyceric acidHMDB
Chemical FormulaC9H17O12P
Average Molecular Weight348.1978
Monoisotopic Molecular Weight348.04576252
IUPAC Name(2R)-3-hydroxy-2-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}propanoic acid
Traditional Name(2R)-3-hydroxy-2-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}propanoic acid
CAS Registry NumberNot Available
SMILES
OC[C@@H](O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
InChI Identifier
InChI=1S/C9H17O12P/c10-1-3(8(14)15)20-9-7(13)6(12)5(11)4(21-9)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7+,9+/m1/s1
InChI KeyBOLXAGHGKNGVBE-MTXRGOKVSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexose phosphates
Alternative Parents
Substituents
  • Hexose phosphate
  • Fatty acyl glycoside
  • Fatty acyl glycoside of mono- or disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Monosaccharide phosphate
  • Beta-hydroxy acid
  • Monoalkyl phosphate
  • Glyceric_acid
  • Sugar acid
  • Alkyl phosphate
  • Fatty acyl
  • Hydroxy acid
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Secondary alcohol
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Acetal
  • Oxacycle
  • Carboxylic acid
  • Carboxylic acid derivative
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Carbonyl group
  • Primary alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2.4ALOGPS
logP-3.4ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)1.22ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area203.44 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity63.67 m³·mol⁻¹ChemAxon
Polarizability28.12 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0012152
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028809
KNApSAcK IDNot Available
Chemspider ID26332075
KEGG Compound IDC16699
BioCyc IDCPD0-1063
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound24892815
PDB IDNot Available
ChEBI ID61001
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available