L-isowillardiine

L-isowillardiine




Chemical Formula:
C7H9N3O4
Molecular Weight:
199.166 Daltons
Monoisotopic Mass:
200.067130825 Daltons
SMILES:
C1(=CC(N(C(N1)=O)CC(C(=O)[O-])[N+])=O)
InChI:
1S/C7H9N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4H,3,8H2,(H,9,14)(H,12,13)/t4-/m0/s1
InChIKey:
AZSWUZQIIMMKOZ-BYPYZUCNSA-N

Synonyms
  • 3-(uracil-3-yl)-L-alanine
  • β-uracil-3-ylalanine

Databases
MetaCyc:  ISOWILLARDIINE
PubChem (CID):  90658308 167983
HMDB:  HMDB30376
ChemSpider:  146944
KEGG:  C08289
RefMet:  Isowillardiine
Seed:  cpd05204
MetaNetX:  MNXM18779
ChEBI:  6072