Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51939
Common Name:	D-glyceraldehyde 3-phosphate
Systematic Name:	(2R)-2-hydroxy-3-oxopropyl dihydrogen phosphate
RefMet Name:	Glyceraldehyde 3-phosphate
Synonyms:	[PubChem Synonyms]
Exact Mass:	169.9980 (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:	C3H7O6P
InChIKey:	LXJXRIRHZLFYRP-VKHMYHEASA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Glyceraldehyde-3-phosphates [C0002255]
Massbank MS spectra:	View MS spectra
SMILES:	C(=O)[C@@H](COP(=O)(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:	439168
CHEBI ID:	29052
HMDB ID:	HMDB0001112
KEGG ID:	C00118
MetaCyc ID:	GAP
Plant Metabolite Hub(Pmhub):	MS000010044

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