Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:30775 - fluoroacetic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
fluoroacetic acid
ChEBI ID
CHEBI:30775
Definition
A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:24065, CHEBI:5114
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C2H3FO2
Net Charge
0
Average Mass
78.04242
Monoisotopic Mass
78.01171
InChI
InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey
QEWYKACRFQMRMB-UHFFFAOYSA-N
SMILES
OC(=O)CF
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
EC 4.2.1.3 (aconitate hydratase) inhibitor
An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the function of aconitase (EC 4.2.1.3).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
fluoroacetic acid (
CHEBI:30775
)
has role
EC 4.2.1.3 (aconitate hydratase) inhibitor (
CHEBI:62608
)
fluoroacetic acid (
CHEBI:30775
)
is a
haloacetic acid (
CHEBI:16277
)
fluoroacetic acid (
CHEBI:30775
)
is a
organofluorine compound (
CHEBI:37143
)
fluoroacetic acid (
CHEBI:30775
)
is conjugate acid of
fluoroacetate (
CHEBI:18172
)
Incoming
fluoroacetyl-CoA (
CHEBI:61646
)
has functional parent
fluoroacetic acid (
CHEBI:30775
)
fluoroacetate (
CHEBI:18172
)
is conjugate base of
fluoroacetic acid (
CHEBI:30775
)
IUPAC Name
fluoroacetic acid
Synonyms
Sources
acide-monofluoracetique
ChemIDplus
Cymonic acid
KEGG COMPOUND
Fluoroacetic acid
KEGG COMPOUND
Gifblaar poison
KEGG COMPOUND
HFA
KEGG COMPOUND
Monofluoressigsaure
ChemIDplus
monofluoroacetic acid
NIST Chemistry WebBook
UN 2642
KEGG COMPOUND
Manual Xrefs
Databases
C00001196
KNApSAcK
C06108
KEGG COMPOUND
FAH
PDBeChem
Fluoroacetic_acid
Wikipedia
View more database links
Registry Numbers
Types
Sources
144-49-0
CAS Registry Number
KEGG COMPOUND
144-49-0
CAS Registry Number
ChemIDplus
144-49-0
CAS Registry Number
NIST Chemistry WebBook
1739053
Reaxys Registry Number
Reaxys
25730
Gmelin Registry Number
Gmelin
Citations
Types
Sources
17141253
PubMed citation
Europe PMC
17425556
PubMed citation
Europe PMC
18803668
PubMed citation
Europe PMC
19069133
PubMed citation
Europe PMC
19279811
PubMed citation
Europe PMC
21411227
PubMed citation
Europe PMC
Last Modified
05 May 2015