Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	44128
Common Name:	Arabinose
Systematic Name:	(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
RefMet Name:	Arabinose
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:	PYMYPHUHKUWMLA-WDCZJNDASA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Pentoses [C0001497]
Massbank MS spectra:	View MS spectra
SMILES:	C(=O)[C@H]([C@@H]([C@@H](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:	66308
CHEBI ID:	46983
HMDB ID:	HMDB0029942
Chemspider ID:	59687
MetaCyc ID:	CPD-15700
EPA CompTox DB:	DTXCID50209607
Plant Metabolite Hub(Pmhub):	MS000004181

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