Metabolomics Structure Database

 
MW REGNO: 43043
Common Name:Hetacillin
Systematic Name:(2S,5R,6R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
RefMet Name:Hetacillin
Synonyms: [PubChem Synonyms]
Exact Mass:
389.1409 (neutral)    Calculate m/z:
Formula:C19H23N3O4S
InChIKey:DXVUYOAEDJXBPY-NFFDBFGFSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Lactams [C0000160]
ClassyFire subclass:Beta lactams [C0000162]
ClassyFire direct parent:Penicillins [C0000174]
SMILES:CC1(C)[C@H](C(=O)O)N2C(=O)[C@H]([C@H]2S1)N1C(=O)[C@@H](c2ccccc2)NC1(C)C
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