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CHEBI:15851 - 3-(uracil-1-yl)-L-alanine

ChEBI IDCHEBI:15851
ChEBI Name3-(uracil-1-yl)-L-alanine
Stars
ASCII Name3-(uracil-1-yl)-L-alanine
DefinitionThe 3-(uracil-1-yl) derivative of L-alanine.
Secondary ChEBI IDsCHEBI:1441, CHEBI:11740, CHEBI:19943, CHEBI:43215
Last Modified1 December 2014
DownloadsMolfile
FormulaC7H9N3O4
Net Charge0
Average Mass199.166
Monoisotopic Mass199.05931
SMILESN[C@@H](Cn1ccc(=O)nc1=O)C(=O)O
InChIInChI=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
InChIKeyFACUYWPMDKTVFU-BYPYZUCNSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(uracil-1-yl)-L-alanine (CHEBI:15851) has functional parent uracil (CHEBI:17568)
3-(uracil-1-yl)-L-alanine (CHEBI:15851) is a L-alanine derivative (CHEBI:83943)
3-(uracil-1-yl)-L-alanine (CHEBI:15851) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
3-(uracil-1-yl)-L-alanine (CHEBI:15851) is tautomer of 3-(uracil-1-yl)-L-alanine zwitterion (CHEBI:57543)
Incoming Relation(s)
3-(uracil-1-yl)-L-alanine zwitterion (CHEBI:57543) is tautomer of 3-(uracil-1-yl)-L-alanine (CHEBI:15851)
IUPAC Name 
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
Synonyms  Source
3-(Uracil-1-yl)-L-alanineKEGG COMPOUND
WillardiineKEGG COMPOUND
3-(uracil-1-yl)-L-alanineChEBI
2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACIDPDBeChem
Manual XrefsDatabases
C03584KEGG COMPOUND
HWDPDBeChem
DB04129DrugBank
C00001399KNApSAcK
Registry NumbersSources
Beilstein:20710Beilstein
CAS:21416-43-3KEGG COMPOUND
CAS:21416-43-3ChemIDplus