RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136958
RefMet name	Glycolic acid
Alternative name	FA 2:0;O
Systematic name	2-hydroxyacetic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 2:0;O	View other entries in RefMet with this sum composition
Exact mass	76.016045 (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	C2H4O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37080 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChIKey	AEMRFAOFKBGASW-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C(=O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Hydroxy FA
Distribution of Glycolic 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 Glycolic acid
External Links
Pubchem CID	757
ChEBI ID	17497
KEGG ID	C00160
HMDB ID	HMDB0000115
Chemspider ID	737
MetaCyc ID	GLYCOLLATE
EPA CompTox	DTXCID105363
Spectral data for Glycolic acid standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
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 Glycolic acid

Rxn ID	KEGG Reaction	Enzyme
R00465	Glycolate + NADP+ <=> Glyoxylate + NADPH + H+	glycolate:NADP+ oxidoreductase
R00475	Glycolate + Oxygen <=> Glyoxylate + Hydrogen peroxide	glycolate:oxygen 2-oxidoreductase
R00476	Glycolate + Acceptor <=> Glyoxylate + Reduced acceptor	glycolate:acceptor 2-oxidoreductase
R00717	Glycolate + NAD+ <=> Glyoxylate + NADH + H+	Glycolate:NAD+ oxidoreductase
R01334	2-Phosphoglycolate + H2O <=> Glycolate + Orthophosphate	2-phosphoglycolate phosphohydrolase

Table of KEGG human pathways containing Glycolic acid

Pathway ID	Human Pathway	# of reactions
hsa00630	Glyoxylate and dicarboxylate metabolism	3
hsa01100	Metabolic pathways	2
hsa01200	Carbon metabolism	1