Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37336
Common Name:	D-Ribulose
Systematic Name:	(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one
RefMet Name:	D-Ribulose
Synonyms:	[PubChem Synonyms]
Exact Mass:	150.0528 (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:	C5H10O5
InChIKey:	ZAQJHHRNXZUBTE-NQXXGFSBSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Pentoses [C0001497]
MoNA MS spectra:	View MS spectra
SMILES:	C([C@H]([C@H](C(=O)CO)O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	151261
CHEBI ID:	17173
HMDB ID:	HMDB0000621
KEGG ID:	C00309
Chemspider ID:	133316
METLIN ID:	5594
MetaCyc ID:	D-RIBULOSE
Plant Metabolite Hub(Pmhub):	MS000018557

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