RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136326
RefMet name	Tartronate semialdehyde
Systematic name	2-hydroxy-3-oxopropanoic acid
Synonyms	PubChem Synonyms
Exact mass	104.010960 (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	C3H4O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	39101 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)
InChIKey	QWBAFPFNGRFSFB-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(=O)C(C(=O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Hydroxy acids
Sub Class	Alpha hydroxy acids
Distribution of Tartronate semialdehyde 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 Tartronate semialdehyde
External Links
Pubchem CID	1122
ChEBI ID	16992
KEGG ID	C01146
HMDB ID	HMDB0006938
Chemspider ID	1090
MetaCyc ID	TARTRONATE-S-ALD
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 Tartronate semialdehyde

Rxn ID	KEGG Reaction	Enzyme
R01394	Hydroxypyruvate <=> 2-Hydroxy-3-oxopropanoate	hydroxypyruvate aldose-ketose-isomerase

Table of KEGG human pathways containing Tartronate semialdehyde

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