Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	49812
Common Name:	Phosphoric acid
Systematic Name:	phosphoric acid
RefMet Name:	Phosphoric acid
Synonyms:	phosphoric acid [PubChem Synonyms]
Exact Mass:	97.9769 (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:	H3O4P
InChIKey:	NBIIXXVUZAFLBC-UHFFFAOYSA-N
ClassyFire superclass:	Homogeneous non-metal compounds [C0000423]
ClassyFire class:	Non-metal oxoanionic compounds [C0000435]
ClassyFire subclass:	Non-metal phosphates [C0001073]
ClassyFire direct parent:	Non-metal phosphates [C0001073]
Massbank MS spectra:	View MS spectra
SMILES:	OP(=O)(O)O
Studies:	Available studies (via RefMet name)

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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