Metabolomics Structure Database

 
MW REGNO: 43058
Common Name:Meropenem
Systematic Name:(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
RefMet Name:Meropenem
Synonyms: [PubChem Synonyms]
Exact Mass:
383.1515 (neutral)    Calculate m/z:
Formula:C17H25N3O5S
InChIKey:DMJNNHOOLUXYBV-PQTSNVLCSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Lactams [C0000160]
ClassyFire subclass:Beta lactams [C0000162]
ClassyFire direct parent:Thienamycins [C0002362]
MoNA MS spectra:View MS spectra
SMILES:C[C@@H]1[C@@H]2[C@@H]([C@@H](C)O)C(=O)N2C(=C1S[C@H]1C[C@@H](C(=O)N(C)C)NC1)C(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:441130
CHEBI ID:43968
HMDB ID:HMDB0014898
Chemspider ID:389924
EPA CompTox DB:DTXCID10208550

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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