Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	56641
Common Name:	Triethyl phosphate
Systematic Name:	triethyl phosphate
RefMet Name:	Triethyl phosphate
Synonyms:	Ethyl phosphate; TEP; TRIETHYL PHOSPHATE; Triethoxyphosphine oxide; Triethylphosphate; Tris(ethyl) phosphate; o-Phosphoric acid triethyl ester; triethyl phosphate [PubChem Synonyms]
Exact Mass:	182.0708 (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:	C6H15O4P
InChIKey:	DQWPFSLDHJDLRL-UHFFFAOYSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Organic phosphoric acids and derivatives [C0000402]
ClassyFire subclass:	Phosphate esters [C0000408]
ClassyFire direct parent:	Trialkyl phosphates [C0003460]
Massbank MS spectra:	View MS spectra
SMILES:	CCOP(=O)(OCC)OCC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6535
CHEBI ID:	45927
HMDB ID:	HMDB0259191
MetaCyc ID:	CPD-3703
EPA CompTox DB:	DTXCID806228
Plant Metabolite Hub(Pmhub):	MS000004064

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