Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51909
Common Name:	(R)-propane-1,2-diol
Systematic Name:	(2R)-propane-1,2-diol
RefMet Name:	(R)-Propane-1,2-diol
Synonyms:	(R)-propane-1,2-diol [PubChem Synonyms]
Exact Mass:	76.0524 (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:	C3H8O2
InChIKey:	DNIAPMSPPWPWGF-GSVOUGTGSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Alcohols and polyols [C0000129]
ClassyFire direct parent:	1,2-diols [C0002467]
SMILES:	C[C@H](CO)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	259994
CHEBI ID:	28972
HMDB ID:	HMDB0001881
KEGG ID:	C02912
MetaCyc ID:	CPD-8891
Plant Metabolite Hub(Pmhub):	MS000017708

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