Compound Summary
PMBA
Compound Information
PMBA
Compound Name: | PMBA |
Compound CID: | 4779 |
Synonyms: | PMBA Phenylbenzene-omega-phosphono-alpha-amino acid Lopac0_001008 3-2-Phosphonomethyl1,1-biphenyl-3-ylalanine GTPL4289 More... |
Iupac Name: | 2-amino-3-[3-[2-(phosphonomethyl)phenyl]phenyl]propanoic acid |
InChI: | InChI=1S/C16H18NO5P/c17-15(16(18)19)9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-23(20,21)22/h1-8,15H,9-10,17H2,(H,18,19)(H2,20,21,22) |
InChIKey: | NCEGJIHRQBRVJQ-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC=C(C(=C1)CP(=O)(O)O)C2=CC=CC(=C2)CC(C(=O)O)N |
Isomeric Smiles: | C1=CC=C(C(=C1)CP(=O)(O)O)C2=CC=CC(=C2)CC(C(=O)O)N |
Molecular Weight: | 335.29 |
Molecular Formula: | C16H18NO5P |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
PMBA
Molecular Weight: | 335.29 |
Molecular Formula: | C16H18NO5P |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 23 |
Complexity: | 452 |
Synonyms
PMBA
| PMBA | PMBA |
|---|---|
PMBA |
Phenylbenzene-omega-phosphono-alpha-amino acid |
Lopac0_001008 |
3-2-Phosphonomethyl1,1-biphenyl-3-ylalanine |
GTPL4289 |
CHEMBL1416659 |
DTXSID201017650 |
HMS3263I17 |
Tox21_501008 |
CCG-205088 |
LP01008 |
SDCCGSBI-0050981.P002 |
NCGC00015789-02 |
NCGC00015789-03 |
NCGC00015789-04 |
NCGC00094301-01 |
NCGC00094301-02 |
NCGC00261693-01 |
EU-0101008 |
P-204 |
SR-01000075469 |
SR-01000075469-1 |
Q27088420 |
2-Amino-3-3-2-(phosphonomethyl)phenylphenylpropionic acid |
2-amino-3-{3-2-(phosphonomethyl)phenylphenyl}propanoic acid |
alpha-Amino-2-(phosphonomethyl)-1,1-biphenyl-3-propanoic acid |
146533-86-0 |
Experimental Data
PMBA
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
PMBA
Statistics Data
PMBA
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -4.000000000000000 | 1 | 1 |
Statistics Data Visualization
PMBA
