Np mrd loader

Record Information
Version2.0
Created at2022-09-06 20:54:05 UTC
Updated at2022-09-06 20:54:05 UTC
NP-MRD IDNP0237683
Secondary Accession NumbersNone
Natural Product Identification
Common Name(16r)-hexatetracontan-16-ol
Description(16R)-hexatetracontan-16-ol belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. (16r)-hexatetracontan-16-ol is found in Baccharoides anthelmintica. Based on a literature review very few articles have been published on (16R)-hexatetracontan-16-ol.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC46H94O
Average Mass663.2570 Da
Monoisotopic Mass662.73047 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C46H94O/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-46(47)44-42-40-38-36-34-32-16-14-12-10-8-6-4-2/h46-47H,3-45H2,1-2H3/t46-/m1/s1
InChI KeyKKBMBRHWWPPIKC-YACUFSJGSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Baccharoides anthelminticaLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty alcohols
Direct ParentFatty alcohols
Alternative Parents
Substituents
  • Fatty alcohol
  • Secondary alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound163071881
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. LOTUS database [Link]