RefMet Compound Details

RefMet ID	RM0060576
MW structure	37169 (View MW Metabolite Database details)
RefMet name	Phosphoenolpyruvic acid
Systematic name	2-(phosphonooxy)prop-2-enoic acid
SMILES	C=C(C(=O)O)OP(=O)(O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	167.982378 (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	C3H5O6P	View other entries in RefMet with this formula
InChI	InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKey	DTBNBXWJWCWCIK-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	Short-chain acids
Sub Class	Short-chain acids
Pubchem CID	1005
ChEBI ID	44897
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Phosphoenolpyruvic acid

Rxn ID	KEGG Reaction	Enzyme
R00199	ATP + Pyruvate + H2O <=> AMP + Phosphoenolpyruvate + Orthophosphate	ATP:pyruvate,water phosphotransferase
R00200	ATP + Pyruvate <=> ADP + Phosphoenolpyruvate	ATP:pyruvate 2-O-phosphotransferase
R00206	ATP + Pyruvate + Orthophosphate <=> AMP + Phosphoenolpyruvate + Diphosphate	ATP:pyruvate,phosphate phosphotransferase
R00341	ATP + Oxaloacetate <=> ADP + Phosphoenolpyruvate + CO2	ATP:oxaloacetate carboxy-lyase (transphosphorylating
R00345	Orthophosphate + Oxaloacetate <=> H2O + Phosphoenolpyruvate + CO2	phosphate:oxaloacetate carboxy-lyase (adding phosphate
R00346	Diphosphate + Oxaloacetate <=> Orthophosphate + Phosphoenolpyruvate + CO2	diphosphate:oxaloacetate carboxy-lyase (transphosphorylating
R00431	GTP + Oxaloacetate <=> GDP + Phosphoenolpyruvate + CO2	GTP:oxaloacetate carboxy-lyase (adding GTP
R00658	2-Phospho-D-glycerate <=> Phosphoenolpyruvate + H2O	2-phospho-D-glycerate hydro-lyase (phosphoenolpyruvate-forming)
R00726	ITP + Oxaloacetate <=> IDP + Phosphoenolpyruvate + CO2	ITP:oxaloacetate carboxy-lyase (adding ITP
R02320	Nucleoside triphosphate + Pyruvate <=> NDP + Phosphoenolpyruvate	NTP:pyruvate O2-phosphotransferase

Table of KEGG human pathways containing Phosphoenolpyruvic acid

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	8
hsa00010	Glycolysis / Gluconeogenesis	4
hsa00620	Pyruvate metabolism	3
hsa00020	Citrate cycle (TCA cycle)	2
hsa01200	Carbon metabolism	2
hsa01230	Biosynthesis of amino acids	2
hsa00230	Purine metabolism	1