Molecule

3-(uracil-1-yl)-L-alanine

AlkaPlorer ID: AK019409

Synonym: '', '3-(uracil-1-yl)-L-alanine', '2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID', 'Willardiine', '3-(Uracil-1-yl)-L-alanine'

IUPAC Name: (2S)-2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid

Structure

SMILES: N[C@@H](CN1C=CC(=O)NC1=O)C(=O)O

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

Reference

Die freien Aminosäuren der Samen von<i>Acacia Willardiana (Mimosaceae).</i>Isolierung von Willardiin, einer neuen pflanzlichen Aminosäure, vermutlich L-Uracil-[β-(α-amino-propionsäure)]-(3)

PubChem CID: 440053

CAS: 21416-43-3

LOTUS: LTS0144512

NPASS: NPC192521

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lindera aggregata	Lindera	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Scolopia spinosa	Scolopia	Salicaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mycale hentscheli	Mycale	Mycalidae	Poecilosclerida	Demospongiae	Porifera	Metazoa	Eukaryota
Coriaria ruscifolia	Coriaria	Coriariaceae	Cucurbitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Arachniodes sporadosora	Arachniodes	Dryopteridaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Helwingia chinensis	Helwingia	Helwingiaceae	Aquifoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 199.166

TPSA？: 118.18

MolLogP？: -2.0515

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	78 kDa glucose-regulated protein	Potency	18492.7	nM	None
Homo sapiens	Glutamate carboxypeptidase II	IC50	67000.0	nM	10.1021/jm070133w
Homo sapiens	Glutamate receptor ionotropic, AMPA 1	Ki	386.0	nM	10.1021/jm9702387
Homo sapiens	Glutamate receptor ionotropic, AMPA 2	Ki	898.0	nM	10.1021/jm9702387
Homo sapiens	Glutamate receptor ionotropic, AMPA 4	Ki	8850.0	nM	10.1021/jm9702387
Homo sapiens	Glutamate receptor ionotropic kainate 5	Ki	28900.0	nM	10.1021/jm9702387
Homo sapiens	HEK293	Potency	163.5	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	1500.3	nM	None
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 1	EC50	11500.0	nM	10.1021/jm800865a
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 2	EC50	nan	None	10.1021/jm800865a
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 3	EC50	nan	None	10.1021/jm800865a
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Potency	4610.9	nM	None
None	Unchecked	Inhibition	nan	%	10.1038/nchembio873

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT004268	CC(=O)OC[C@H](N)C(=O)O.O=c1cc[nH]c(=O)[nH]1>>N[C@@H](Cn1ccc(=O)[nH]c1=O)C(=O)O	RXN-7541