Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67994
Common Name:	Cycloxydim
Systematic Name:	2-[1-(ethoxyamino)butylidene]-5-tetrahydrothiopyran-3-yl-cyclohexane-1,3-dione
RefMet Name:	Cycloxydim
Synonyms:	Cycloxidim; Focus; Focus Ultra; Cycloxydim [ISO] [PubChem Synonyms]
Exact Mass:	325.1712 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C17H27NO3S
InChIKey:	HAHCNFVGRVWFIP-VKAVYKQESA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Thianes [C0001894]
ClassyFire subclass:	Thianes [C0001894]
ClassyFire direct parent:	Aliphatic heteromonocyclic compounds
Massbank MS spectra:	View MS spectra
SMILES:	CCC/C(=C/1C(=O)CC(CC1=O)C1CCCSC1)/NOCC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	135438605
CHEBI ID:	4033
KEGG ID:	C10913
EPA CompTox DB:	DTXCID50817347
Plant Metabolite Hub(Pmhub):	MS000000770

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