RefMet Compound Details

RefMet ID	RM0040766
MW structure	37133 (View MW Metabolite Database details)
RefMet name	Phenylpyruvic acid
Systematic name	2-oxo-3-phenylpropanoic acid
SMILES	c1ccc(cc1)CC(=O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	164.047345 (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	C9H8O3	View other entries in RefMet with this formula
InChI	InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKey	BTNMPGBKDVTSJY-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	Phenylpropanoids
Sub Class	Cinnamic acids
Pubchem CID	997
ChEBI ID	30851
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Phenylpyruvic acid

Rxn ID	KEGG Reaction	Enzyme
R00688	L-Phenylalanine + H2O + NAD+ <=> Phenylpyruvate + Ammonia + NADH + H+	L-phenylalanine:NAD+ oxidoreductase (deaminating)
R00689	L-Phenylalanine + H2O + Oxygen <=> Phenylpyruvate + Ammonia + Hydrogen peroxide	L-Phenylalanine:oxygen oxidoreductase (deaminating)
R00692	L-Phenylalanine + Pyruvate <=> Phenylpyruvate + L-Alanine	L-phenylalanine:pyruvate aminotransferase
R00694	L-Phenylalanine + 2-Oxoglutarate <=> Phenylpyruvate + L-Glutamate	L-Phenylalanine:2-oxoglutarate aminotransferase
R01372	Phenylpyruvate + Oxygen <=> 2-Hydroxyphenylacetate + CO2	Phenylpyruvate:oxygen oxidoreductase (hydroxylating,decarboxylating)
R01378	Phenylpyruvate <=> 2-Hydroxy-3-phenylpropenoate	Phenylpyruvate keto-enol-isomerase

Table of KEGG human pathways containing Phenylpyruvic acid

Pathway ID	Human Pathway	# of reactions
hsa00360	Phenylalanine metabolism	4
hsa00400	Phenylalanine, tyrosine and tryptophan biosynthesis	2
hsa01100	Metabolic pathways	2