Showing metabocard for Dolichyl beta-D-mannosyl phosphate (BMDB0012218)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:34:22 UTC
Update Date2020-04-22 15:49:06 UTC
BMDB IDBMDB0012218
Secondary Accession Numbers
  • BMDB12218
Metabolite Identification
Common NameDolichyl beta-D-mannosyl phosphate
DescriptionDolichyl beta-D-mannosyl phosphate, also known as D mannopyranosyldolichyl or phosphate, dolichyl mannopyranosyl, belongs to the class of organic compounds known as dolichyl monophosphates. These are polyprenyl compounds consisting of a monophosphate group substituted by a dolichyl moiety. Based on a literature review a small amount of articles have been published on Dolichyl beta-D-mannosyl phosphate.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Dolichyl b-D-mannosyl phosphateGenerator
Dolichyl b-D-mannosyl phosphoric acidGenerator
Dolichyl beta-D-mannosyl phosphoric acidGenerator
Dolichyl β-D-mannosyl phosphateGenerator
Dolichyl β-D-mannosyl phosphoric acidGenerator
D-MannopyranosyldolichylMeSH
Dolichyl mannopyranosyl phosphateMeSH
Phosphate, dolichyl mannopyranosylMeSH
Alpha-D-Mannopyranosyl phosphate, dolichylMeSH
Dolichyl Alpha D mannopyranosyl phosphateMeSH
Dolichyl Alpha-D-mannopyranosyl phosphateMeSH
Mannopyranosyl phosphate, dolichylMeSH
Phosphate, dolichyl Alpha-D-mannopyranosylMeSH
Dolichol monophosphate mannoseMeSH
Dolicholphosphate mannoseMeSH
MannolipidMeSH
Mannose, dolichol monophosphateMeSH
Mannose, dolicholphosphateMeSH
Phosphoryl dolichol, mannosylMeSH
D MannopyranosyldolichylMeSH
Dolichol, mannosyl phosphorylMeSH
Dolichyl mannosyl phosphateMeSH
Mannosyl phosphate, dolichylMeSH
monoPhosphate mannose, dolicholMeSH
Phosphate, dolichyl mannosylMeSH
b-D-Mannopyranose-1-ester with dolichol dihydrogen phosphateHMDB
beta-D-Mannopyranose-1-ester with dolichol dihydrogen phosphateHMDB
D-Mannose ester with dolichol dihydrogen phosphateHMDB
Dolichyl D-mannosyl phosphateHMDB
Dolichyl mannosyl mannolipid phosphateHMDB
Dolichyl phosphate D-mannoseHMDB
Mannosyl phosphoryl dolicholHMDB
{[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinateGenerator, HMDB
Chemical FormulaC86H143O9P
Average Molecular Weight1352.024
Monoisotopic Molecular Weight1351.046972686
IUPAC Name{[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid
Traditional Name[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphinic acid
CAS Registry NumberNot Available
SMILES
OC[C@H]1O[C@@H](OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C86H143O9P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-29-56-78(14)57-30-58-79(15)59-31-60-80(16)61-32-62-81(17)63-64-93-96(91,92)95-86-85(90)84(89)83(88)82(65-87)94-86/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,81-90H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-65H2,1-17H3,(H,91,92)/b67-35+,68-37+,69-39+,70-41+,71-43+,72-45+,73-47+,74-49+,75-51+,76-53+,77-55+,78-57+,79-59+,80-61+/t81?,82-,83-,84+,85+,86+/m1/s1
InChI KeyYRJQNWAWJNIMPJ-HNEPGKAWSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as dolichyl monophosphates. These are polyprenyl compounds consisting of a monophosphate group substituted by a dolichyl moiety.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassPolyprenols
Direct ParentDolichyl monophosphates
Alternative Parents
Substituents
  • Polyterpenoid
  • Polyprenyl monophosphate
  • Dolichyl monophosphate
  • Hexose monosaccharide
  • Monosaccharide phosphate
  • Dialkyl phosphate
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Oxane
  • Alkyl phosphate
  • Phosphoric acid ester
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Organooxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Primary alcohol
  • Organic oxygen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cell membrane
  • Cytoplasm
  • Membrane
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP9.23ALOGPS
logP23.83ChemAxon
logS-6.3ALOGPS
pKa (Strongest Acidic)1.62ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area145.91 ŲChemAxon
Rotatable Bond Count52ChemAxon
Refractivity426.74 m³·mol⁻¹ChemAxon
Polarizability173.25 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-7904000000-8463e8c0990735747c59View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9200000000-cca7649c93e201dfe991View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9300000000-8bba3a0bc7d3a528275cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-2938000000-fa2ad4c284d94c096da7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9121000000-875e17e77981d3f058ecView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-ceca6a1ee184c0cd8936View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0f8c-6395000000-e8f16b31e928e42d351bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00mn-1211458469-765845c818d3de0058c7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0hj2-9101425243-0654b575804dd3185b15View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-0109000000-5a9027f88cffa7170ad1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0fbj-9744000000-d5a85e94ba53ff8adc84View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-002b-9200000000-1549d6155cb5d4a3c3a2View in MoNA
Biological Properties
Cellular Locations
  • Cell membrane
  • Cytoplasm
  • Membrane
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0012218
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028862
KNApSAcK IDNot Available
Chemspider ID35032419
KEGG Compound IDNot Available
BioCyc IDCPD-171
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53481390
PDB IDNot Available
ChEBI ID17624
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available