Metabolomics Structure Database

 
MW REGNO: 54478
Common Name:Octafluoropropane
Systematic Name:octafluoropropane
Synonyms:1,1,1,2,2,3,3,3-octafluoropropane; Definity; FC 218; Freon 218; Octafluorpropan; Oktafluorpropan; Perflutren; perfluoropropane [PubChem Synonyms]
Exact Mass:
187.9872 (neutral)    Calculate m/z:
Formula:C3F8
InChIKey:QYSGYZVSCZSLHT-UHFFFAOYSA-N
ClassyFire superclass:Organohalogen compounds [C0000267]
ClassyFire class:Organofluorides [C0001517]
ClassyFire subclass:Organofluorides [C0001517]
ClassyFire direct parent:Aliphatic acyclic compounds
SMILES:C(C(F)(F)F)(C(F)(F)F)(F)F
Studies:-

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External database links:

PubChem CID:6432
CHEBI ID:31980
HMDB ID:HMDB0014696

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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