Metabolomics Structure Database

 
MW REGNO: 71692
Common Name:Conduritol-beta-epoxide
Systematic Name:(2R,3S,4S,5R)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
RefMet Name:Conduritol epoxide
Synonyms: [PubChem Synonyms]
Exact Mass:
162.0530 (neutral)    Calculate m/z:
Formula:C6H10O5
InChIKey:ZHMWOVGZCINIHW-SPHYCDKFSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Oxepanes [C0001729]
ClassyFire subclass:Oxepanes [C0001729]
ClassyFire direct parent:Aliphatic heteropolycyclic compounds
SMILES:[C@@H]1([C@@H]([C@H](C2C([C@@H]1O)O2)O)O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

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

  logo