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CHEBI:6072 - Isowillardiine

ChEBI IDCHEBI:6072
ChEBI NameIsowillardiine
Stars
Last Modified26 March 2015
DownloadsMolfile
FormulaC7H9N3O4
Net Charge0
Average Mass199.166
Monoisotopic Mass199.05931
SMILESN[C@@H](Cn1c(=O)ccnc1=O)C(=O)O
InChIInChI=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
InChIKeyAZSWUZQIIMMKOZ-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)
Isowillardiine (CHEBI:6072) is a non-proteinogenic α-amino acid (CHEBI:83925)
Synonym  Source
IsowillardiineKEGG COMPOUND
Manual XrefsDatabases
C08289KEGG COMPOUND
C00001375KNApSAcK
Registry NumbersSources
CAS:21381-33-9KEGG COMPOUND