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Identification
Name Pentadecane
Accession Number DB03715 (EXPT02270)
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 629-62-9
Weight Average: 212.4146
Monoisotopic: 212.250401024
Chemical Formula C15H32
InChI Key InChIKey=YCOZIPAWZNQLMR-UHFFFAOYSA-N
InChI
InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
Plain Text
IUPAC Name
pentadecane
SMILES
CCCCCCCCCCCCCCC
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism
Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties
Property Value Source
melting point 9.9 °C PhysProp
boiling point 270.6 °C PhysProp
water solubility 7.6E-005 mg/L (at 25 °C) COATES,M ET AL. (1985)
Predicted Properties
Property Value Source
water solubility 3.57e-05 g/l ALOGPS
logP 8.17 ALOGPS
logP 7.13 ChemAxon
logS -6.8 ALOGPS
physiological charge 0 ChemAxon
hydrogen acceptor count 0 ChemAxon
hydrogen donor count 0 ChemAxon
polar surface area 0 ChemAxon
rotatable bond count 12 ChemAxon
refractivity 70.82 ChemAxon
polarizability 31.21 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Compound C08388 Link_out
PubChem Compound 12391 Link_out
PubChem Substance 46505677 Link_out
ChEBI 28897 Link_out
ChEMBL 28897 Link_out
HET MYS Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. H(+)/Cl(-) exchange transporter clcA

Pharmacological action: unknown

Probably acts as an electrical shunt for an outwardly- directed proton pump that is linked to amino acid decarboxylation, as part of the extreme acid resistance (XAR) response

Organism class: bacterial
UniProt ID: Q8ZRP8 Link_out
Gene: clcA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:22