Show more...
Record Information
Version2.0
Created at2022-09-06 22:42:34 UTC
Updated at2022-09-06 22:42:35 UTC
NP-MRD IDNP0239177
Secondary Accession NumbersNone
Natural Product Identification
Common Namen-(5-dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidic acid
DescriptionN-(5-dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidic acid belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. n-(5-dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidic acid is found in Suillus luteus. Based on a literature review very few articles have been published on N-(5-dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidic acid.
Structure
Thumb
Synonyms
ValueSource
N-(5-Dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidateGenerator
Chemical FormulaC33H65NO4
Average Mass539.8860 Da
Monoisotopic Mass539.49136 Da
IUPAC NameN-(5-dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidic acid
Traditional NameN-(5-dodecyl-4-hydroxyoxolan-3-yl)-2-hydroxyheptadecanimidic acid
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCC(O)C(O)=NC1COC(CCCCCCCCCCCC)C1O
InChI Identifier
InChI=1S/C33H65NO4/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-30(35)33(37)34-29-28-38-31(32(29)36)27-25-23-21-19-14-12-10-8-6-4-2/h29-32,35-36H,3-28H2,1-2H3,(H,34,37)
InChI KeyUUGJJZZJDCJMBY-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Suillus luteusLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentoses
Alternative Parents
Substituents
  • Pentose monosaccharide
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Oxolane
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxamide group
  • Organoheterocyclic compound
  • Ether
  • Dialkyl ether
  • Carboxylic acid derivative
  • Oxacycle
  • Hydrocarbon derivative
  • Alcohol
  • Organonitrogen compound
  • Organic oxide
  • Organic nitrogen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP10.66ChemAxon
pKa (Strongest Acidic)4.23ChemAxon
pKa (Strongest Basic)2.02ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area82.28 ŲChemAxon
Rotatable Bond Count27ChemAxon
Refractivity160.08 m³·mol⁻¹ChemAxon
Polarizability71.92 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID21378365
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound91412085
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. LOTUS database [Link]