CHEBI:15425 - proclavaminic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name proclavaminic acid
ChEBI ID CHEBI:15425
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14888, CHEBI:44967, CHEBI:8437, CHEBI:12883
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C8H14N2O4
Net Charge 0
Average Mass 202.20784
Monoisotopic Mass 202.09536
InChI InChI=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
InChIKey NMCINKPVAOXDJH-VDTYLAMSSA-N
SMILES NCC[C@@H](O)[C@H](N1CCC1=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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
(2S,3R)-5-amino-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoic acid
5-amino-2,4,5-trideoxy-2-(2-oxoazetidin-1-yl)-D-threo-pentonic acid
Synonyms Sources
5-amino-2,4,5-trideoxy-2-(2-oxo-1-azetidinyl)-D-threo-pentonic acid ChemIDplus
5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID PDBeChem
Proclavaminate KEGG COMPOUND
Proclavaminic acid KEGG COMPOUND
Manual Xrefs Databases
C06658 KEGG COMPOUND
PCV PDBeChem
View more database links
Registry Numbers Types Sources
112240-59-2 CAS Registry Number ChemIDplus
3651348 Beilstein Registry Number Beilstein
3651348 Reaxys Registry Number Reaxys
Last Modified
10 January 2019