EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:15424 - dihydroclavaminic acid

ChEBI IDCHEBI:15424
ChEBI Namedihydroclavaminic acid
Stars
Secondary ChEBI IDsCHEBI:4558, CHEBI:12884, CHEBI:14146
Last Modified7 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H12N2O4
Net Charge0
Average Mass200.194
Monoisotopic Mass200.07971
SMILES[H][C@]12CC(=O)N1[C@H](C(=O)O)[C@@H](CCN)O2
InChIInChI=1S/C8H12N2O4/c9-2-1-4-7(8(12)13)10-5(11)3-6(10)14-4/h4,6-7H,1-3,9H2,(H,12,13)/t4-,6+,7+/m1/s1
InChIKeyBONQGFBLZGPXMG-PIYBLCFFSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
dihydroclavaminic acid (CHEBI:15424) is a monocarboxylic acid (CHEBI:25384)
dihydroclavaminic acid (CHEBI:15424) is tautomer of dihydroclavaminic acid zwitterion (CHEBI:57301)
Incoming Relation(s)
dihydroclavaminic acid zwitterion (CHEBI:57301) is tautomer of dihydroclavaminic acid (CHEBI:15424)
IUPAC Name 
(2S,3R,5S)-3-(2-aminoethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Synonyms  Source
DihydroclavaminateKEGG COMPOUND
Dihydroclavaminic acidKEGG COMPOUND
Manual XrefsDatabases
C06659KEGG COMPOUND
Registry NumbersSources
Beilstein:6143854Beilstein