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CHEBI:29607 - Isoclavulanic acid

ChEBI IDCHEBI:29607
ChEBI NameIsoclavulanic acid
Stars
Last Modified26 March 2015
DownloadsMolfile
FormulaC8H9NO5
Net Charge0
Average Mass199.162
Monoisotopic Mass199.04807
SMILES[H][C@@]12CC(=O)N1[C@@H](C(=O)O)/C(=C\CO)O2
InChIInChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1+/t6-,7-/m1/s1
InChIKeyHZZVJAQRINQKSD-INJCQMSSSA-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)
Isoclavulanic acid (CHEBI:29607) is a non-proteinogenic α-amino acid (CHEBI:83925)
Synonym  Source
Isoclavulanic acidKEGG COMPOUND
Manual XrefsDatabases
C11833KEGG COMPOUND
Registry NumbersSources
CAS:62319-53-3KEGG COMPOUND