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
ClassyFire class:	Organooxygen compounds
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates
ClassyFire direct parent:	Pentoses
SMILES:	C([C@H]([C@H](C(=O)CO)O)O)O
Studies:	Available studies (via RefMet name)

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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
NPClassifier classification: "NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products", Kim HW, Wang M, Leber CA, Nothias LF, Reher R, Kang KB, van der Hooft JJJ, Dorrestein PC, Gerwick WH and Cottrell GW. J Nat Prod. 2021 Nov 26;84(11):2795-2807.DOI: 10.1021/acs.jnatprod.1c00399.