Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0NOCl
MW REGNO: 208917
Common Name:Allidochlor
Synonyms: [PubChem Synonyms]
Exact Mass:
173.0607 (neutral)    Calculate m/z:
Formula:C8H12ClNO
InChIKey:MDBGGTQNNUOQRC-UHFFFAOYSA-N
SMILES:C=CCN(CC=C)C(=O)CCl
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:7157
EPA CompTox DB:DTXCID0021591

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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