EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176400 - fluciclovine

ChEBI IDCHEBI:176400
ChEBI Namefluciclovine
Stars
DefinitionA 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).
Last Modified15 June 2021
SubmitterAdnan
DownloadsMolfile
FormulaC5H8FNO2
Net Charge0
Average Mass133.122
Monoisotopic Mass133.05391
SMILESN[C@]1(C(=O)O)C[C@@H](F)C1
InChIInChI=1S/C5H8FNO2/c6-3-1-5(7,2-3)4(8)9/h3H,1-2,7H2,(H,8,9)/t3-,5-
InChIKeyNTEDWGYJNHZKQW-IWLYVCSRSA-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)
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)
fluciclovine (CHEBI:176400) is a α-amino acid (CHEBI:33704)
IUPAC Name 
(1r,3r)-1-amino-3-fluorocyclobutanecarboxylic acid
Synonyms  Source
(1r,3r)-1-amino-3-fluorocyclobutane-1-carboxylic acidIUPAC
trans-1-amino-3-fluorocyclobutanecarboxylic acidIUPAC
anti-1-amino-3-fluorocyclobutyl-1-carboxylic acidChemIDplus
FACBChemIDplus
Manual XrefsDatabases
DB15237DrugBank
28487364ChemSpider
Registry NumbersSources
CAS:222727-43-7ChemIDplus
Citations