Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50340
Common Name:	3-phospho-D-glyceroyl dihydrogen phosphate
Systematic Name:	(2R)-2-hydroxy-1-oxopropane-1,3-diyl bis(dihydrogen phosphate)
RefMet Name:	3-Phospho-D-glyceroyl dihydrogen phosphate
Synonyms:	[PubChem Synonyms]
Exact Mass:	265.9593 (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:	C3H8O10P2
InChIKey:	LJQLQCAXBUHEAZ-UWTATZPHSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Organic phosphoric acids and derivatives [C0000402]
ClassyFire subclass:	Phosphate esters [C0000408]
ClassyFire direct parent:	Acyl monophosphates [C0000237]
SMILES:	C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	439191
CHEBI ID:	16001
HMDB ID:	HMDB0001270
KEGG ID:	C00236
Plant Metabolite Hub(Pmhub):	MS000016827

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