RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136053
RefMet name	Phosphohydroxypyruvic acid
Systematic name	2-oxo-3-(phosphonooxy)propanoic acid
Synonyms	PubChem Synonyms
Exact mass	183.977293 (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	C3H5O7P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37557 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)
InChIKey	LFLUCDOSQPJJBE-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C(=O)C(=O)O)OP(=O)(O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic oxygen compounds
Main Class	Carbonyl compounds
Sub Class	Other carbonyl compounds
Distribution of Phosphohydroxypyruvic 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 Phosphohydroxypyruvic acid
External Links
Pubchem CID	105
ChEBI ID	30933
KEGG ID	C03232
HMDB ID	HMDB0001024
Chemspider ID	103
MetaCyc ID	3-P-HYDROXYPYRUVATE
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 Phosphohydroxypyruvic acid

Rxn ID	KEGG Reaction	Enzyme
R01513	3-Phospho-D-glycerate + NAD+ <=> 3-Phosphonooxypyruvate + NADH + H+	3-Phospho-D-glycerate:NAD+ 2-oxidoreductase
R04173	O-Phospho-L-serine + 2-Oxoglutarate <=> 3-Phosphonooxypyruvate + L-Glutamate	3-Phosphoserine:2-oxoglutarate aminotransferase

Table of KEGG human pathways containing Phosphohydroxypyruvic acid

Pathway ID	Human Pathway	# of reactions
hsa00260	Glycine, serine and threonine metabolism	2
hsa00270	Cysteine and methionine metabolism	2
hsa01200	Carbon metabolism	2
hsa01230	Biosynthesis of amino acids	2