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]
MoNA MS spectra:	View MS spectra
SMILES:	C(=O)[C@@H](COP(=O)(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:	439168
CHEBI ID:	29052
HMDB ID:	HMDB0001112
KEGG ID:	C00118
MetaCyc ID:	GAP
Plant Metabolite Hub(Pmhub):	MS000010044

Calculated physicochemical properties (?):

Heavy Atoms:	10
Rings:	0
Aromatic Rings:	0
Rotatable Bonds:	4
van der Waals Molecular volume:	130.39 Å3 molecule-1
Toplogical Polar Sufrace Area:	104.06 Å2 molecule-1
Hydrogen Bond Donors:	3
Hydrogen Bond Acceptors:	6
logP:	-0.43
Molar Refractivity:	30.79
Fraction sp3 Carbons:	0.67
sp3 Carbons:	2

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

REACTOME pathways containing this metabolite

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