CHEBI:176400 - fluciclovine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name fluciclovine
ChEBI ID CHEBI:176400
Definition A member of the class of cyclobutanes that is cyclobutane which carries a carboxy, amino and fluoro groups at positions 1, 1 and 3, respectively (the 1r,3r-stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C5H8FNO2
Net Charge 0
Average Mass 133.122
Monoisotopic Mass 133.05391
InChI InChI=1S/C5H8FNO2/c6-3-1-5(7,2-3)4(8)9/h3H,1-2,7H2,(H,8,9)/t3-,5-
InChIKey NTEDWGYJNHZKQW-IWLYVCSRSA-N
SMILES N[C@]1(C[C@H](F)C1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 fluciclovine (CHEBI:176400) is a α-amino acid (CHEBI:33704)
fluciclovine (CHEBI:176400) is a cyclobutanes (CHEBI:156473)
fluciclovine (CHEBI:176400) is a fluoroamino acid (CHEBI:24068)
fluciclovine (CHEBI:176400) is a monocarboxylic acid (CHEBI:25384)
fluciclovine (CHEBI:176400) is a primary amino compound (CHEBI:50994)
IUPAC Name
(1r,3r)-1-amino-3-fluorocyclobutanecarboxylic acid
Synonyms Sources
(1r,3r)-1-amino-3-fluorocyclobutane-1-carboxylic acid IUPAC
anti-1-amino-3-fluorocyclobutyl-1-carboxylic acid ChemIDplus
FACB ChemIDplus
trans-1-amino-3-fluorocyclobutanecarboxylic acid IUPAC
Manual Xrefs Databases
28487364 ChemSpider
DB15237 DrugBank
View more database links
Registry Number Type Source
222727-43-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
27754421 PubMed citation Europe PMC
Last Modified
15 June 2021