UCSF

ZINC00901485

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 12 No

Popular Name: Phenylpyruvic acid Phenylpyruvic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 114-76-1 , 122049-54-1 , 156-06-9 , 51828-93-4 , 54865-40-6 , [122049-54-1] , [156-06-9] , [51828-93-4]

Other Names:

156-06-9; 2-keto-phenyl-pyruvate; 3-phenyl-2-oxopropanoate; PHENYL-PYRUVATE; alpha-ketohydrocinnamic acid; keto-phenylpyruvate

156-06-9; 3-Phenyl-2-oxopropanoate; C00166; Phenylpyruvate; Phenylpyruvic acid; alpha-Ketohydrocinnamic acid; keto-Phenylpyruvate

2-Hydroxy-3-phenyl-2-propenoic acid, 9CI;a-Hydroxycinnamic acid;a-Oxobenzenepropanoic acid, 9CI;FEMA 3892;Phenylpyruvic acid

2-Hydroxy-3-phenylpropenoic acid; 2-Oxo-3-phenylpropanoate; 2-Oxo-3-phenylpropanoic acid; 3-(4-hydroxyphenyl)pyruvate; 3-phenyl-2-oxopropanoate; 3-Phenyl-2-oxopropanoic acid; 3-Phenylpyruvate; 3-Phenylpyruvic acid; alpha-Ketohydrocinnamate; alpha-ketohydr

2-Oxo-3-phenylpropanoate; 2-Oxo-3-phenylpropanoic acid; 3-Phenyl-2-oxopropanoate; 3-Phenyl-2-oxopropanoic acid; 3-Phenylpyruvate; 3-Phenylpyruvic acid; alpha-Ketohydrocinnamate; alpha-Ketohydrocinnamic acid; b-Phenylpyruvate; b-Phenylpyruvic acid; beta-Ph

2-Oxo-3-phenylpropanoate; 2-Oxo-3-phenylpropanoic acid; 3-Phenyl-2-oxopropanoate; 3-Phenyl-2-oxopropanoic acid; 3-Phenylpyruvate; 3-Phenylpyruvic acid; Keto-Phenylpyruvate; Phenylpyroracemate; Phenylpyroracemic acid; Phenylpyruvate; alpha-Ketohydrocinnama

2-Oxo-3-phenylpropanoate;2-Oxo-3-phenylpropanoic acid;3-Phenyl-2-oxopropanoate;3-Phenyl-2-oxopropanoic acid;3-Phenylpyruvate;3-Phenylpyruvic acid;alpha-Ketohydrocinnamate;alpha-Ketohydrocinnamic acid;b-Phenylpyruvate;b-Phenylpyruvic acid;beta-Phenylpyruva

2-Oxo-3-phenylpropanoate;2-Oxo-3-phenylpropanoic acid;3-Phenyl-2-oxopropanoate;3-Phenyl-2-oxopropanoic acid;3-Phenylpyruvate;3-Phenylpyruvic acid;Keto-Phenylpyruvate;Phenylpyroracemate;Phenylpyroracemic acid;Phenylpyruvate;alpha-Ketohydrocinnamate;alpha-K

2-Oxo-3-phenylpropanoic acid

2-Oxo-3-phenylpropanoic acid (Mixture oxo and keto)

2-Oxo-3-phenylpropionic acid

2-Oxo-3-phenylpropionic acid sodium salt

3-(4-hydroxyphenyl)pyruvate; 3-phenylpyruvate

3-Phenylpyruvic Acid

Calcium 2-oxo-3-phenylpropanoate

Calcium phenylpyruvate

Calcium2-oxo-3-phenylpropanoate

CHEBI:26007; CHEBI:12821; CHEBI:14784

keto-phenylpyruvate

keto-phenylpyruvic acid

MFCD00002589

MFCD00002590

MFCD00037200

MFCD00149109

Phenylpyruvic acid calcium salt

Phenylpyruvic acid sodium monohydrate

Phenylpyruvic acid sodium salt

Phenylpyruvic acid sodium salt monohydrate

Phenylpyruvic acid sodium salt monohydrate, 98%

Phenylpyruvic acid, 98%+

Phenylpyruvic acid, calcium salt

Phenylpyruvic acid, sodium salt monohydrate, 98%

Phenylpyruvicacid

PHENYLPYRUVICACIDSODIUMSALTMONOHYDRATE

Phenyylpyruvic acid sodium salt

QA-0524

QB-7419

Sodium 2-oxo-3-phenylpropanoate

Sodium 2-oxo-3-phenylpropanoate hydrate

Sodium phenylpyruvate

Sodium phenylpyruvate monohydrate

Sodium phenylpyruvate monohydrate, 98%

Sodium phenylpyruvate, 98%

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.53 5.41 -45.31 0 3 -1 57 163.152 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 158 - 160 Enamine Building Blocks
MP 158...160 Enamine Building Blocks
ALOGPS_SOLUBILITY 9.32e-01 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
UniProt Database Links AADAT_BOVIN; AADAT_HUMAN; AADAT_MOUSE; AADAT_RAT; ALKH_ECOLI; CHMU_ENTAG; CHMU_PSEAE; COFG_ANAVT; COFG_ARCFU; COFG_GLOVI; COFG_HALMA; COFG_HALS3; COFG_HALSA; COFG_META3; COFG_METAC; COFG_METB6; COFG_METBF; COFG_METBU; COFG_METJA; COFG_METKA; COFG_METM5; C ChEBI
Reactome Database Links REACT_120997; REACT_121130; REACT_121215 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Abnormal metabolism in phenylketonuria

Analogs ( Draw Identity 99% 90% 80% 70% )