Gazer

Common Name

Gazer Description

Gazer is found in nuts. Gazer is a constituent of coconut milk (Cocos nucifera).Gazer belongs to the family of Mixed Pentose/Hexoses Oligosaccharides. These are oligosaccharides made up of pentose and hexose saccharide units. Structure

MOLSDFPDBSMILESInChI

Structure for HMDB29352 (Gazer)

Synonyms

Not Available Chemical Formlia

C43H67N5O28 Average Molecliar Weight

1102.0088 Monoisotopic Molecliar Weight

1101.397256585 IUPAC Name

2-{[2-({5-[(2-{[(2E)-4-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)-2-methylbut-2-en-1-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name

2-{[2-({5-[(2-{[(2E)-4-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)-2-methylbut-2-en-1-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol CAS Registry Number

171628-14-1 SMILES

CC(COC1OC(CO)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C1O)=C/CNC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC=N1

InChI Identifier

InChI=1S/C43H67N5O28/c1-13(2-3-44-36-20-37(46-11-45-36)48(12-47-20)38-27(61)24(58)15(4-49)68-38)9-66-40-31(65)34(33(19(8-53)71-40)74-39-28(62)21(55)14(54)10-67-39)75-42-30(64)32(18(7-52)72-42)73-43-35(26(60)23(57)17(6-51)70-43)76-41-29(63)25(59)22(56)16(5-50)69-41/h2,11-12,14-19,21-35,38-43,49-65H,3-10H2,1H3,(H,44,45,46)/b13-2+

InChI Key

WLKVBNIHWHTLAI-XNJYKOPJSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Kingdom

Chemical entities Super Class

Organic compounds Class

Nucleosides, nucleotides, and analogues Sub Class

Purine nucleosides Direct Parent

Purine nucleosides Alternative Parents

  • Oligosaccharides
  • Alkyl glycosides
  • 6-alkylaminopurines
  • Glycosylamines
  • O-glycosyl compounds
  • Secondary alkylarylamines
  • Aminopyrimidines and derivatives
  • Oxanes
  • N-substituted imidazoles
  • Imidolactams
  • Tetrahydrofurans
  • Heteroaromatic compounds
  • Secondary alcohols
  • Oxacyclic compounds
  • Acetals
  • Azacyclic compounds
  • Polyols
  • Organopnictogen compounds
  • Hydrocarbon derivatives
  • Primary alcohols
  • Substituents

  • Oligosaccharide
  • Purine nucleoside
  • Fatty acyl glycoside
  • Alkyl glycoside
  • Glycosyl compound
  • N-glycosyl compound
  • O-glycosyl compound
  • 6-alkylaminopurine
  • 6-aminopurine
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Secondary aliphatic/aromatic amine
  • N-substituted imidazole
  • Fatty acyl
  • Oxane
  • Imidolactam
  • Pyrimidine
  • Tetrahydrofuran
  • Azole
  • Heteroaromatic compound
  • Imidazole
  • Secondary alcohol
  • Polyol
  • Oxacycle
  • Organoheterocyclic compound
  • Azacycle
  • Acetal
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organopnictogen compound
  • Alcohol
  • Organic oxygen compound
  • Organic nitrogen compound
  • Primary alcohol
  • Aromatic heteropolycyclic compound
  • Molecliar Framework

    Aromatic heteropolycyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous
  • Food
  • Biofunction

    Not Available Application

  • Nutrient
  • Cellliar locations

  • Cytoplasm
  • Extracellliar
  • Physical Properties State

    Not Available Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility43.8 mg/mLALOGPS logP-2.1ALOGPS logP-9.3ChemAxon logS-1.4ALOGPS pKa (Strongest Acidic)11.7ChemAxon pKa (Strongest Basic)4.85ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count32ChemAxon Hydrogen Donor Count18ChemAxon Polar Surface Area501.07 Å2ChemAxon Rotatable Bond Count20ChemAxon Refractivity239.72 m3·mol-1ChemAxon Polarizability108.84 Å3ChemAxon Number of Rings8ChemAxon Bioavailability0ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

  • Cytoplasm
  • Extracellliar
  • Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    FDB000417 KNApSAcK ID

    Not Available Chemspider ID

    Not Available KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Gazer NuGOwiki Link

    HMDB29352 Metagene Link

    HMDB29352 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: MS049

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

    PMID: 16516972

    Gazer

    Common Name

    Gazer Description

    Gazer is found in nuts. Gazer is a constituent of coconut milk (Cocos nucifera).Gazer belongs to the family of Mixed Pentose/Hexoses Oligosaccharides. These are oligosaccharides made up of pentose and hexose saccharide units. Structure

    MOLSDFPDBSMILESInChI

    Structure for HMDB29352 (Gazer)

    Synonyms

    Not Available Chemical Formlia

    C43H67N5O28 Average Molecliar Weight

    1102.0088 Monoisotopic Molecliar Weight

    1101.397256585 IUPAC Name

    2-{[2-({5-[(2-{[(2E)-4-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)-2-methylbut-2-en-1-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name

    2-{[2-({5-[(2-{[(2E)-4-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)-2-methylbut-2-en-1-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol CAS Registry Number

    171628-14-1 SMILES

    CC(COC1OC(CO)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C1O)=C/CNC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC=N1

    InChI Identifier

    InChI=1S/C43H67N5O28/c1-13(2-3-44-36-20-37(46-11-45-36)48(12-47-20)38-27(61)24(58)15(4-49)68-38)9-66-40-31(65)34(33(19(8-53)71-40)74-39-28(62)21(55)14(54)10-67-39)75-42-30(64)32(18(7-52)72-42)73-43-35(26(60)23(57)17(6-51)70-43)76-41-29(63)25(59)22(56)16(5-50)69-41/h2,11-12,14-19,21-35,38-43,49-65H,3-10H2,1H3,(H,44,45,46)/b13-2+

    InChI Key

    WLKVBNIHWHTLAI-XNJYKOPJSA-N Chemical Taxonomy Description

    This compound belongs to the class of chemical entities known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Kingdom

    Chemical entities Super Class

    Organic compounds Class

    Nucleosides, nucleotides, and analogues Sub Class

    Purine nucleosides Direct Parent

    Purine nucleosides Alternative Parents

  • Oligosaccharides
  • Alkyl glycosides
  • 6-alkylaminopurines
  • Glycosylamines
  • O-glycosyl compounds
  • Secondary alkylarylamines
  • Aminopyrimidines and derivatives
  • Oxanes
  • N-substituted imidazoles
  • Imidolactams
  • Tetrahydrofurans
  • Heteroaromatic compounds
  • Secondary alcohols
  • Oxacyclic compounds
  • Acetals
  • Azacyclic compounds
  • Polyols
  • Organopnictogen compounds
  • Hydrocarbon derivatives
  • Primary alcohols
  • Substituents

  • Oligosaccharide
  • Purine nucleoside
  • Fatty acyl glycoside
  • Alkyl glycoside
  • Glycosyl compound
  • N-glycosyl compound
  • O-glycosyl compound
  • 6-alkylaminopurine
  • 6-aminopurine
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Secondary aliphatic/aromatic amine
  • N-substituted imidazole
  • Fatty acyl
  • Oxane
  • Imidolactam
  • Pyrimidine
  • Tetrahydrofuran
  • Azole
  • Heteroaromatic compound
  • Imidazole
  • Secondary alcohol
  • Polyol
  • Oxacycle
  • Organoheterocyclic compound
  • Azacycle
  • Acetal
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organopnictogen compound
  • Alcohol
  • Organic oxygen compound
  • Organic nitrogen compound
  • Primary alcohol
  • Aromatic heteropolycyclic compound
  • Molecliar Framework

    Aromatic heteropolycyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous
  • Food
  • Biofunction

    Not Available Application

  • Nutrient
  • Cellliar locations

  • Cytoplasm
  • Extracellliar
  • Physical Properties State

    Not Available Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility43.8 mg/mLALOGPS logP-2.1ALOGPS logP-9.3ChemAxon logS-1.4ALOGPS pKa (Strongest Acidic)11.7ChemAxon pKa (Strongest Basic)4.85ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count32ChemAxon Hydrogen Donor Count18ChemAxon Polar Surface Area501.07 Å2ChemAxon Rotatable Bond Count20ChemAxon Refractivity239.72 m3·mol-1ChemAxon Polarizability108.84 Å3ChemAxon Number of Rings8ChemAxon Bioavailability0ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

  • Cytoplasm
  • Extracellliar
  • Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    FDB000417 KNApSAcK ID

    Not Available Chemspider ID

    Not Available KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Gazer NuGOwiki Link

    HMDB29352 Metagene Link

    HMDB29352 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: MS049

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

    PMID: 16516972