UCSF

ZINC03870145

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 10 No

Popular Name: Cyclohexanamine 2-(phosphonooxy)acrylate Cyclohexanamine 2-(phosphonooxy)…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10526-80-4 , 123334-13-4 , 138-08-9 , 138-08-9; 73-89-2 , 35556-70-8 , 4265-07-0 , 53823-68-0 , 5541-93-5 , [10526-80-4] , [4265-07-0] , [5541-93-5]

Other Names:

138-08-9; 2-(Phosphonooxy)acrylate; 2-Propenoic acid, 2-(phosphonooxy)-, ion(1-); PEP; PHOSPHOENOLPYRUVATE; Phosphoenolpyruvic acid; bmse000107

138-08-9; 73-89-2; P-enol-pyr; P-enol-pyruvate; PEP; PHOSPHO-ENOL-PYRUVATE; phosphoenolpyruvate

138-08-9; C00074; PEP; Phosphoenolpyruvate; Phosphoenolpyruvic acid

2-(phosphonooxy)-2-propenoate; 2-(phosphonooxy)acrylate; 2-hydroxy-2-propenoate (dihydrogen phosphate) (ester); 2-hydroxy-2-propenoate phosphate (ester); 2-hydroxy-Acrylic acid dihydrogen phosphate; 2-phosphonooxyprop-2-enoate; 2-phosphonooxyprop-2-enoic

2-(phosphonooxy)-2-propenoate; 2-(phosphonooxy)acrylate; 2-hydroxy-2-propenoate (dihydrogen phosphate) (ester); 2-hydroxy-2-propenoate phosphate (ester); O-phosphono-enol-pyruvate; PHOSPHOENOLPYRUVATE; phosphoenolpyruvate(1-)

2-(Phosphonooxy)-2-propenoic acid monocyclohexylammonium salt

2-dihydroxyphosphinoyloxyacrylicacid

2-Hydroxy-Acrylic acid dihydrogen phosphate; 2-Phosphonooxyprop-2-enoate; 2-Phosphonooxyprop-2-enoic acid; P-Enol-pyruvate; PEP; Phosphoenolpyruvate

2-Hydroxy-Acrylic acid dihydrogen phosphate;2-Phosphonooxyprop-2-enoate;2-Phosphonooxyprop-2-enoic acid;P-Enol-pyruvate;PEP;Phosphoenolpyruvate

2-Phosphoenol pyruvate na3salt

CHEBI:14812; CHEBI:26054; CHEBI:8147

MFCD00004258

MFCD00036375

MFCD00044476

MFCD00044918

MFCD00044920

MFCD00150737

MFCD03939071

Monopotassium phosphoenolpyruvate

PEP MCHA salt

PEP-CHA

PEP-K

PHOSPHO(ENOL)PYRUVATE MONO(CYCLOHEXYLAMMONIUM) SALT

Phospho(enol)pyruvic acid cyclohexylammonium salt

Phosphoenolpyruvate

Phosphoenolpyruvate, monocyclohexylammonium salt

Phosphoenolpyruvic acid

Phosphoenolpyruvic acid mono(cyclohexylammonium) salt

Phosphoenolpyruvic acid mono(cyclohexylammonium) salt, 98%

Phosphoenolpyruvic acid monopotassium salt

Phosphoenolpyruvic acid monopotassium salt, 99%

Phosphoenolpyruvic acid monosodium salt

Phosphoenolpyruvic acid tris(cyclohexylammonium) salt

Phosphoenolpyruvic Acid Tris(cyclohexylammonium) Salt Hydrate

Phosphoenolpyruvic acid trisodium salt heptahydrate

Phosphoenolpyruvic acid, cyclohexylammonium salt

Phosphoenolpyruvic Acid, Monocyclohexyl Ammonium Salt [10526-80-4]; (PEP MAHA salt)

PHOSPHOENOLPYRUVIC ACID, MONOCYCLOHEXYLAMMONIUM SALT; [10526-80-4]

Phosphoenolpyruvic acid, trisodium salt heptahydrate

phosphoenolpyruvicacidmono(cyclohexylammonium)salt

PHOSPHOENOLPYRUVICACIDTRIS SALT

phosphonatoenolpyruvate

Potassium 1-carboxyvinyl hydrogenphosphate

QB-7085

Sodium 1-carboxyvinyl hydrogenphosphate

SS-0784

SS-9762

Store at -20°C

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) -0.80 1.7 -214.18 0 6 -3 113 165.017 3 ↓
Mid Mid (pH 6-8) -0.80 0.53 -102.67 1 6 -2 110 166.025 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.32e+01 g/l DrugBank-experimental
M.P 140°C Indofine
Purity 95% Fluorochem
UniProt Database Links ACEA_CORGL; ACEA_ECOLI; ACEA_SALTY; ACXA_XANP2; ACXB_XANP2; ACXC_XANP2; AGLB_KLEPN; COMB_METJA; COMB_METTH; COMC_METJA; COMC_METTH; COMD_METJA; COMD_METTH; COME_METJA; COME_METTH; CRH_BACSU; DHAM_ECOLI; DHQSD_ARATH; DHQS_ACTCH; DHQS_ARATH; DHQS_SOLLC; ENO ChEBI
UniProt Database Links ACXA_XANP2; ACXB_XANP2; ACXC_XANP2; AGLB_KLEPN; COMB_METJA; COMB_METTH; COMC_METJA; COMC_METTH; COMD_METJA; COMD_METTH; COME_METJA; COME_METTH; DHAM_ECOLI; DHQSD_ARATH; DHQS_ACTCH; DHQS_ARATH; DHQS_SOLLC; ENO11_SCHPO; ENO12_SCHPO; ENO1_ARATH; ENO1_CANAL ChEBI
Melting_Point ca 140? dec. Alfa-Aesar
Melting_Point ca 140° dec. Alfa-Aesar
Melting_Point ca 170? dec. Alfa-Aesar
Melting_Point ca 170° dec. Alfa-Aesar
Patent Database Links EP1598364; EP1743655; EP1884513; EP1894567; EP1972629; US2004176570; US2007259956; US2008038765; US2008274947; WO2005025556; WO2008117225 ChEBI
Reactome Database Links REACT_1400; REACT_14780; REACT_14793; REACT_1524; REACT_2018; REACT_259 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PEPD-1-E Xaa-Pro Dipeptidase (cluster #1 Of 2), Eukaryotic Eukaryotes 9 1.13 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PEPD_HUMAN P12955 Xaa-Pro Dipeptidase, Human 300 0.91 Binding ≤ 1μM
PEPD_HUMAN P12955 Xaa-Pro Dipeptidase, Human 300 0.91 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Chorismate via Shikimate Pathway
Gluconeogenesis
Glycolysis
Sialic acid metabolism

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