Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	49937
Common Name:	D-Mannonic acid
Systematic Name:	(2S,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid
RefMet Name:	Mannonic acid
Synonyms:	(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; D-mannonate; Mannonic acid [PubChem Synonyms]
Exact Mass:	196.0583 (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:	C6H12O7
InChIKey:	RGHNJXZEOKUKBD-MBMOQRBOSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Hydroxy acids and derivatives [C0000472]
ClassyFire subclass:	Medium-chain hydroxy acids and derivatives [C0000299]
ClassyFire direct parent:	Medium-chain hydroxy acids and derivatives [C0000299]
MoNA MS spectra:	View MS spectra
SMILES:	C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O
Studies:	Available studies (via RefMet name)

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PubChem CID:	3246006
HMDB ID:	HMDB0242119
KEGG ID:	C00514

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