RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136006
RefMet name	Phosphoglycolic acid
Systematic name	2-(phosphonooxy)acetic acid
Synonyms	PubChem Synonyms
Exact mass	155.982374 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C2H5O6P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37443 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKey	ASCFNMCAHFUBCO-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C(=O)O)OP(=O)(O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Organic phosphoric acids
Sub Class	Phosphate esters
Distribution of Phosphoglycolic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Phosphoglycolic acid
External Links
Pubchem CID	529
ChEBI ID	17150
KEGG ID	C00988
HMDB ID	HMDB0000816
Chemspider ID	514
MetaCyc ID	CPD-67
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Phosphoglycolic acid

Rxn ID	KEGG Reaction	Enzyme
R01334	2-Phosphoglycolate + H2O <=> Glycolate + Orthophosphate	2-phosphoglycolate phosphohydrolase

Table of KEGG human pathways containing Phosphoglycolic acid

Pathway ID	Human Pathway	# of reactions
hsa00630	Glyoxylate and dicarboxylate metabolism	1
hsa01200	Carbon metabolism	1