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:19297 - 2,3,5-trichloromaleylacetic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2,3,5-trichloromaleylacetic acid
ChEBI ID
CHEBI:19297
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
C6H3Cl3O5
Net Charge
0
Average Mass
261.44312
Monoisotopic Mass
259.90461
InChI
InChI=1S/C6H3Cl3O5/c7-1(2(8)5(11)12)4(10)3(9)6(13)14/h3H,(H,11,12)(H,13,14)/b2-1-
InChIKey
ADCWUQBAGPEBME-UPHRSURJSA-N
SMILES
OC(=O)C(Cl)C(=O)C(\Cl)=C(\Cl)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,3,5-trichloromaleylacetic acid (
CHEBI:19297
)
has functional parent
2-hexenedioic acid (
CHEBI:36192
)
2,3,5-trichloromaleylacetic acid (
CHEBI:19297
)
is a
organochlorine compound (
CHEBI:36683
)
2,3,5-trichloromaleylacetic acid (
CHEBI:19297
)
is a
oxo dicarboxylic acid (
CHEBI:36145
)
IUPAC Name
(2
Z
)-2,3,5-trichloro-4-oxohex-2-enedioic acid
Manual Xrefs
Databases
c0738
UM-BBD
C18243
KEGG COMPOUND
View more database links
Last Modified
28 July 2014