Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	49884
Common Name:	Ribulose 1,5-bisphosphate
Systematic Name:	[(2R,3R)-2,3-bis(oxidanyl)-4-oxidanylidene-5-phosphonooxy-pentyl] dihydrogen phosphate
RefMet Name:	Ribulose 1,5-bisphosphate
Synonyms:	[(2R,3R)-2,3-dihydroxy-4-keto-5-phosphonooxy-pentyl] dihydrogen phosphate [PubChem Synonyms]
Exact Mass:	309.9855 (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:	C5H12O11P2
InChIKey:	YAHZABJORDUQGO-NQXXGFSBSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Pentose phosphates [C0002259]
MoNA MS spectra:	View MS spectra
SMILES:	C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=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:	123658
HMDB ID:	HMDB0304322
KEGG ID:	C01182
Plant Metabolite Hub(Pmhub):	MS000009646

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