Compound Summary
Willardiine
Compound Information
Willardiine
Compound Name: | Willardiine |
Compound CID: | 440053 |
Synonyms: | Willardiine (S)-WILLARDIINE S(-)-Willardiine (-)-Willardiine 3-(Uracil-1-yl)-L-alanine More... |
Iupac Name: | (2S)-2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid |
InChI: | InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1 |
InChIKey: | FACUYWPMDKTVFU-BYPYZUCNSA-N |
Canonical Smiles: | C1=CN(C(=O)NC1=O)CC(C(=O)O)N |
Isomeric Smiles: | C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N |
Molecular Weight: | 199.16 |
Molecular Formula: | C7H9N3O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Willardiine
Molecular Weight: | 199.16 |
Molecular Formula: | C7H9N3O4 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 14 |
Complexity: | 312 |
Synonyms
Willardiine
| Willardiine | Willardiine |
|---|---|
Willardiine |
(S)-WILLARDIINE |
S(-)-Willardiine |
(-)-Willardiine |
3-(Uracil-1-yl)-L-alanine |
CHEMBL122005 |
CHEBI:15851 |
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID |
1mqj |
Lopac0_001219 |
HWD |
SCHEMBL401191 |
SCHEMBL13319907 |
BDBM17661 |
(2S)-2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid |
DTXSID201017167 |
ZINC901774 |
WAA41643 |
2990AH |
AKOS006281897 |
CCG-205293 |
CS-3618 |
NCGC00094464-03 |
HY-12499 |
EU-0101219 |
C03584 |
Q12093199 |
(S)-2-Amino-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid |
2-amino-3-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)propionic acid |
(2S)-2-amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid |
Experimental Data
Willardiine
| 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 | 10.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Willardiine
Statistics Data
Willardiine
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 10.000000000000000 | 1 | 1 |
Statistics Data Visualization
Willardiine
