Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	149926
Common Name:	Fospropofol
Systematic Name:	[2,6-bis(propan-2-yl)phenoxymethoxy]phosphonic acid
Synonyms:	Fospropofol [PubChem Synonyms]
Exact Mass:	288.1127 (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:	C13H21O5P
InChIKey:	QVNNONOFASOXQV-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Cumenes [C0000355]
SMILES:	CC(C)c1cccc(C(C)C)c1OCOP(=O)(O)O
Studies:	Available studies(via PubChem CID)

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External database links:

PubChem CID:	3038498
CHEBI ID:	135193
HMDB ID:	HMDB0015661
Drugbank ID:	DB06716
CHEMBL ID:	CHEMBL1201766

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