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:23123 - chloroacetate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
chloroacetate
ChEBI ID
CHEBI:23123
Definition
A haloacetate(1−) resulting from the deprotonation of the carboxy group of chloroacetic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C2H2ClO2
Net Charge
-1
Average Mass
93.48900
Monoisotopic Mass
92.97488
InChI
InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1
InChIKey
FOCAUTSVDIKZOP-UHFFFAOYSA-M
SMILES
[O-]C(=O)CCl
ChEBI Ontology
Outgoing
chloroacetate (
CHEBI:23123
)
has functional parent
acetate (
CHEBI:30089
)
chloroacetate (
CHEBI:23123
)
is a
haloacetate(1−) (
CHEBI:85638
)
chloroacetate (
CHEBI:23123
)
is conjugate base of
chloroacetic acid (
CHEBI:27869
)
Incoming
chloroacetic acid (
CHEBI:27869
)
is conjugate acid of
chloroacetate (
CHEBI:23123
)
IUPAC Name
chloroacetate
Synonyms
Sources
chloroacetate
UniProt
chloroacetate anion
ChEBI
chloroacetate(1−)
ChEBI
Chloroacetic acid ion(1-)
ChEBI
mono-chloroacetate
ChEBI
monochloroacetate anion
ChEBI
monochloroacetic acid anion
ChEBI
Manual Xrefs
Databases
c0007
UM-BBD
CHLOROACETIC-ACID
MetaCyc
View more database links
Registry Numbers
Types
Sources
14526-03-5
CAS Registry Number
ChemIDplus
1903575
Reaxys Registry Number
Reaxys
Last Modified
05 May 2015