Hmdb loader
Show more...Show more...Show more...
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2014-10-08 15:56:14 UTC
Update Date2022-03-07 03:17:48 UTC
HMDB IDHMDB0061868
Secondary Accession Numbers
  • HMDB61868
Metabolite Identification
Common NameOctacosane
DescriptionOctacosane, also known as CH3-[CH2]26-CH3, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Octacosane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, octacosane is considered to be a hydrocarbon lipid molecule. Octacosane has been detected, but not quantified, in several different foods, such as peachs, coconuts, apples, sweet cherries, and lindens. This could make octacosane a potential biomarker for the consumption of these foods. A straight-chain alkane containing 28 carbon atoms.
Structure
Thumb
Synonyms
ValueSource
CH3-[CH2]26-CH3ChEBI
N-OctacosaneChEBI
Chemical FormulaC28H58
Average Molecular Weight394.7601
Monoisotopic Molecular Weight394.453851856
IUPAC Nameoctacosane
Traditional Nameoctacosane
CAS Registry Number630-02-4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChI KeyZYURHZPYMFLWSH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassSaturated hydrocarbons
Sub ClassAlkanes
Direct ParentAlkanes
Alternative ParentsNot Available
Substituents
  • Acyclic alkane
  • Alkane
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
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
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Saliva
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB001869
KNApSAcK IDC00034614
Chemspider ID11902
KEGG Compound IDNot Available
BioCyc IDCPD-9765
BiGG IDNot Available
Wikipedia LinkHigher alkanes
METLIN IDNot Available
PubChem Compound12408
PDB IDNot Available
ChEBI ID32943
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. Ratchik EM, Viswanathan V: GLC determination of saccharin in pharmaceutical products. J Pharm Sci. 1975 Jan;64(1):133-5. [PubMed:1133688 ]
  2. Xu Y, Wei L: [Chemical constituents of Astragalus chinensis L]. Zhongguo Zhong Yao Za Zhi. 1995 May;20(5):296-7, 320. [PubMed:7492362 ]
  3. Radwan SS, Sorkhoh NA, Felzmann H, El-Desouky AF: Uptake and utilization of n-octacosane and n-nonacosane by Arthrobacter nicotianae KCC B35. J Appl Bacteriol. 1996 Apr;80(4):370-4. [PubMed:8849639 ]
  4. Wei J, Zuo Q, Zhu Y: [Chemical constituents of seeds of Camellia sinensis var. assamica]. Zhongguo Zhong Yao Za Zhi. 1997 Apr;22(4):228-30, 254. [PubMed:10743215 ]
  5. Rajkumar S, Jebanesan A: Mosquitocidal activities of octacosane from Moschosma polystachyum Linn (lamiaceae). J Ethnopharmacol. 2004 Jan;90(1):87-9. [PubMed:14698514 ]
  6. Heitsch AT, Fanfair DD, Tuan HY, Korgel BA: Solution-liquid-solid (SLS) growth of silicon nanowires. J Am Chem Soc. 2008 Apr 23;130(16):5436-7. doi: 10.1021/ja8011353. Epub 2008 Mar 29. [PubMed:18373344 ]
  7. Rivera A, Rios-Motta J, Dusek M, Jarosova M: Unexpected conformational consequences of weak hydrogen bonds on 1,3,7,9,13,15,19,21-octaazapentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosane monohydrate. Acta Crystallogr C. 2010 Apr;66(Pt 4):o222-4. doi: 10.1107/S0108270110010413. Epub 2010 Mar 27. [PubMed:20354316 ]
  8. San-Miguel MA, Rodger PM: Templates for wax deposition? Phys Chem Chem Phys. 2010 Apr 21;12(15):3887-94. doi: 10.1039/b920945j. Epub 2010 Feb 24. [PubMed:20358083 ]
  9. Wikipedia [Link]