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CHEBI:15425 - proclavaminic acid

ChEBI IDCHEBI:15425
ChEBI Nameproclavaminic acid
Stars
Secondary ChEBI IDsCHEBI:8437, CHEBI:12883, CHEBI:14888, CHEBI:44967
Last Modified10 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H14N2O4
Net Charge0
Average Mass202.210
Monoisotopic Mass202.09536
SMILESNCC[C@@H](O)[C@@H](C(=O)O)N1CCC1=O
InChIInChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5-,7+/m1/s1
InChIKeyNMCINKPVAOXDJH-VDTYLAMSSA-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)
proclavaminic acid (CHEBI:15425) is a azetidines (CHEBI:38777)
proclavaminic acid (CHEBI:15425) is a monocarboxylic acid (CHEBI:25384)
proclavaminic acid (CHEBI:15425) is tautomer of proclavaminic acid zwitterion (CHEBI:57302)
Incoming Relation(s)
amidinoproclavaminic acid (CHEBI:32963) has functional parent proclavaminic acid (CHEBI:15425)
deoxyamidinoproclavaminic acid (CHEBI:15426) has functional parent proclavaminic acid (CHEBI:15425)
proclavaminic acid zwitterion (CHEBI:57302) is tautomer of proclavaminic acid (CHEBI:15425)
IUPAC Names 
5-amino-2,4,5-trideoxy-2-(2-oxoazetidin-1-yl)-D-threo-pentonic acid
(2S,3R)-5-amino-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoic acid
Synonyms  Source
Proclavaminic acidKEGG COMPOUND
ProclavaminateKEGG COMPOUND
5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACIDPDBeChem
5-amino-2,4,5-trideoxy-2-(2-oxo-1-azetidinyl)-D-threo-pentonic acidChemIDplus
Manual XrefsDatabases
C06658KEGG COMPOUND
PCVPDBeChem
Registry NumbersSources
Reaxys:3651348Reaxys
CAS:112240-59-2ChemIDplus