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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:44:51 UTC
Update Date2022-03-07 02:53:05 UTC
HMDB IDHMDB0031689
Secondary Accession Numbers
  • HMDB31689
Metabolite Identification
Common Name1-Hexanol arabinosylglucoside
Description1-Hexanol arabinosylglucoside belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review a small amount of articles have been published on 1-Hexanol arabinosylglucoside.
Structure
Thumb
Synonyms
ValueSource
(2-Phenylcyclobutyl)benzeneHMDB
1,1'-(1,2-Cyclobutanediyl)bis-cis-benzeneHMDB
1,1'-(1,2-Cyclobutanediyl)bis-trans-benzeneHMDB
1,2-Diphenyl-cyclobutaneHMDB
trans-1,2-DiphenylcyclobutaneHMDB
Chemical FormulaC17H32O10
Average Molecular Weight396.43
Monoisotopic Molecular Weight396.199547244
IUPAC Name2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(hexyloxy)oxane-3,4,5-triol
Traditional Name2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(hexyloxy)oxane-3,4,5-triol
CAS Registry Number124044-06-0
SMILES
CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O
InChI Identifier
InChI=1S/C17H32O10/c1-2-3-4-5-6-24-16-15(23)13(21)12(20)10(27-16)8-25-17-14(22)11(19)9(7-18)26-17/h9-23H,2-8H2,1H3
InChI KeyLOVPBJMHVBJKQS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acyl glycosides
Direct ParentFatty acyl glycosides of mono- and disaccharides
Alternative Parents
Substituents
  • Fatty acyl glycoside of mono- or disaccharide
  • Alkyl glycoside
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Oxane
  • Tetrahydrofuran
  • Secondary alcohol
  • Polyol
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Primary alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility28.9 g/LALOGPS
logP-0.75ALOGPS
logP-1.2ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)11.94ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area158.3 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity90.2 m³·mol⁻¹ChemAxon
Polarizability41.51 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+191.74431661259
DarkChem[M-H]-188.51831661259
DeepCCS[M+H]+196.70630932474
DeepCCS[M-H]-194.15630932474
DeepCCS[M-2H]-227.77830932474
DeepCCS[M+Na]+204.06830932474
AllCCS[M+H]+195.132859911
AllCCS[M+H-H2O]+192.832859911
AllCCS[M+NH4]+197.232859911
AllCCS[M+Na]+197.832859911
AllCCS[M-H]-193.832859911
AllCCS[M+Na-2H]-194.132859911
AllCCS[M+HCOO]-194.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1-Hexanol arabinosylglucosideCCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O3193.3Standard polar33892256
1-Hexanol arabinosylglucosideCCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O3224.2Standard non polar33892256
1-Hexanol arabinosylglucosideCCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O3107.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
1-Hexanol arabinosylglucoside,1TMS,isomer #1CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O3135.1Semi standard non polar33892256
1-Hexanol arabinosylglucoside,1TMS,isomer #2CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3114.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,1TMS,isomer #3CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3126.1Semi standard non polar33892256
1-Hexanol arabinosylglucoside,1TMS,isomer #4CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3125.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,1TMS,isomer #5CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3093.1Semi standard non polar33892256
1-Hexanol arabinosylglucoside,1TMS,isomer #6CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3108.5Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #1CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3057.4Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #10CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3078.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #11CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3061.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #12CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3077.1Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #13CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3060.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #14CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3072.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #15CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3066.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #2CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3070.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #3CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3083.4Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #4CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3066.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #5CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3078.0Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #6CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O3072.8Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #7CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3072.1Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #8CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3054.0Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TMS,isomer #9CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3068.5Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #1CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O2964.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #10CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3057.4Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #11CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3028.9Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #12CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3003.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #13CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3036.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #14CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3027.4Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #15CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3074.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #16CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3042.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #17CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3034.8Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #18CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3077.4Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #19CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3047.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #2CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O3030.5Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #20CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3103.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #3CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O3009.5Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #4CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C3032.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #5CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3042.4Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #6CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3024.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #7CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3045.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #8CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3038.5Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TMS,isomer #9CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3080.0Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #1CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2943.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #10CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3070.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #11CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2948.8Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #12CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3025.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #13CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2965.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #14CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3058.0Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #15CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3066.0Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #2CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2902.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #3CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2942.1Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #4CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2950.5Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #5CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3014.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #6CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2965.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #7CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2966.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #8CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3032.9Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TMS,isomer #9CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2982.1Semi standard non polar33892256
1-Hexanol arabinosylglucoside,5TMS,isomer #1CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2875.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,5TMS,isomer #2CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2936.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,5TMS,isomer #3CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2878.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,5TMS,isomer #4CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2982.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,5TMS,isomer #5CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2991.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,5TMS,isomer #6CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2977.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,6TMS,isomer #1CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2924.8Semi standard non polar33892256
1-Hexanol arabinosylglucoside,1TBDMS,isomer #1CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O3361.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,1TBDMS,isomer #2CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O3355.0Semi standard non polar33892256
1-Hexanol arabinosylglucoside,1TBDMS,isomer #3CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3364.4Semi standard non polar33892256
1-Hexanol arabinosylglucoside,1TBDMS,isomer #4CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3362.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,1TBDMS,isomer #5CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3334.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,1TBDMS,isomer #6CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3355.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #1CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O3518.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #10CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3531.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #11CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3501.9Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #12CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3526.1Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #13CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3519.9Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #14CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3529.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #15CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3531.8Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #2CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3535.8Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #3CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3541.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #4CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3518.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #5CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3537.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #6CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3535.8Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #7CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3525.4Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #8CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3495.8Semi standard non polar33892256
1-Hexanol arabinosylglucoside,2TBDMS,isomer #9CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3518.8Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #1CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3669.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #10CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3713.1Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #11CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3681.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #12CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3671.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #13CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3672.9Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #14CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3682.4Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #15CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3709.9Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #16CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3692.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #17CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3688.8Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #18CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3715.4Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #19CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3697.9Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #2CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3684.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #20CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3754.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #3CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3666.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #4CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3675.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #5CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3696.0Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #6CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3677.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #7CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3687.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #8CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3700.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,3TBDMS,isomer #9CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3727.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #1CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3836.4Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #10CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3905.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #11CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3851.9Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #12CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3886.5Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #13CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3860.8Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #14CCCCCCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3918.5Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #15CCCCCCOC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3916.6Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #2CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3818.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #3CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3824.0Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #4CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3847.2Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #5CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3888.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #6CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3858.3Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #7CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3858.7Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #8CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3894.9Semi standard non polar33892256
1-Hexanol arabinosylglucoside,4TBDMS,isomer #9CCCCCCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3868.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1-Hexanol arabinosylglucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-005j-6359000000-2dc6a1387fcc9ac8fade2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Hexanol arabinosylglucoside GC-MS (4 TMS) - 70eV, Positivesplash10-00xr-5204149000-8fba2a00edda77fed8592017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Hexanol arabinosylglucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hexanol arabinosylglucoside 10V, Positive-QTOFsplash10-002b-3339000000-9165a42e93a7a7c7a3ad2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hexanol arabinosylglucoside 20V, Positive-QTOFsplash10-0f79-9841000000-db23f640b92d3d3236d72016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hexanol arabinosylglucoside 40V, Positive-QTOFsplash10-000m-9510000000-6c2c16cacb9052d842c42016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hexanol arabinosylglucoside 10V, Negative-QTOFsplash10-0002-3669000000-23db4a933227c2a45f452016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hexanol arabinosylglucoside 20V, Negative-QTOFsplash10-001j-2922000000-04469b8a2fdbc7fb575b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hexanol arabinosylglucoside 40V, Negative-QTOFsplash10-0zgm-8920000000-8efeee724303963039fe2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hexanol arabinosylglucoside 10V, Positive-QTOFsplash10-002b-4039000000-304d1e86240e9bd51d732021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hexanol arabinosylglucoside 20V, Positive-QTOFsplash10-0a4l-9311000000-4dfd67fd784a4e9b3fb82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hexanol arabinosylglucoside 40V, Positive-QTOFsplash10-052f-9100000000-cae0c523901bea523ee22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hexanol arabinosylglucoside 10V, Negative-QTOFsplash10-0002-0229000000-8008b9b3f94c26e5abf72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hexanol arabinosylglucoside 20V, Negative-QTOFsplash10-03di-7943000000-f53bd7b67e04d21bd5542021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hexanol arabinosylglucoside 40V, Negative-QTOFsplash10-052f-9510000000-0ce8772dff744f64aa8a2021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB008352
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131751182
PDB IDNot Available
ChEBI ID168578
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.