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]
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-propenoic acid monocyclohexylammonium salt
2-dihydroxyphosphinoyloxyacrylicacid
2-Phosphoenol pyruvate na3salt
CHEBI:14812; CHEBI:26054; CHEBI:8147
Monopotassium phosphoenolpyruvate
PHOSPHO(ENOL)PYRUVATE MONO(CYCLOHEXYLAMMONIUM) SALT
Phospho(enol)pyruvic acid cyclohexylammonium salt
Phosphoenolpyruvate, monocyclohexylammonium salt
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
Potassium 1-carboxyvinyl hydrogenphosphate
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 | ↓ |
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 |
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 |
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 |