Metabolomics Structure Database

 
MW REGNO: 75127
Common Name:(+)-Camphor
Systematic Name:1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
RefMet Name:Camphor
Synonyms: [PubChem Synonyms]
Exact Mass:
152.1201 (neutral)    Calculate m/z:
Formula:C10H16O
InChIKey:DSSYKIVIOFKYAU-UHFFFAOYSA-N
LIPID MAPS Category:Prenol Lipids [PR]
LIPID MAPS mainclass:Isoprenoids [PR01]
LIPID MAPS subclass:C10 isoprenoids (monoterpenes) [PR0102]
LIPID MAPS level4class:Bicyclic monoterpenoids [LMPR010212]
Massbank MS spectra:View MS spectra
SMILES:CC1(C)C2CCC1(C)C(=O)C2
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:2537
LIPID MAPS ID:LMPR0102120001
CHEBI ID:36773
HMDB ID:HMDB0303206
KEGG ID:C00808
Plant Metabolite Hub(Pmhub):MS000002112

Calculated physicochemical properties (?):

Heavy Atoms: 11  
Rings: 2  
Aromatic Rings: 0  
Rotatable Bonds: 0  
van der Waals Molecular volume: 162.99 Å3 molecule-1  
Toplogical Polar Sufrace Area: 17.07 Å2 molecule-1  
Hydrogen Bond Donors: 0  
Hydrogen Bond Acceptors: 1  
logP: 2.4  
Molar Refractivity: 44.24  
Fraction sp3 Carbons:   
sp3 Carbons:   

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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