Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67550
Common Name:	BORIC ACID
Systematic Name:	boric acid
Synonyms:	Orthoboric acid; Boracic acid; Borofax; Boron hydroxide [PubChem Synonyms]
Exact Mass:	62.0175 (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:	H3BO3
InChIKey:	KGBXLFKZBHKPEV-UHFFFAOYSA-N
ClassyFire superclass:	Mixed metal/non-metal compounds [C0000424]
ClassyFire class:	Miscellaneous mixed metal/non-metals [C0001270]
ClassyFire subclass:	Miscellaneous metallic oxoanionic compounds [C0001470]
ClassyFire direct parent:	Miscellaneous borates [C0001476]
SMILES:	B(O)(O)O
Studies:	Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	7628
HMDB ID:	HMDB0035731
BMRB ID:	bmse000941
MetaCyc ID:	BORATE
Plant Metabolite Hub(Pmhub):	MS000023123

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