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:90124 - dibromoacetic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
dibromoacetic acid
ChEBI ID
CHEBI:90124
Definition
A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are replaced by bromo groups.
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
C2H2Br2O2
Net Charge
0
Average Mass
217.843
Monoisotopic Mass
215.84215
InChI
InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey
SIEILFNCEFEENQ-UHFFFAOYSA-N
SMILES
C(Br)(Br)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
)
Biological Role
(s):
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application
(s):
geroprotector
Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dibromoacetic acid (
CHEBI:90124
)
has functional parent
acetic acid (
CHEBI:15366
)
dibromoacetic acid (
CHEBI:90124
)
has role
apoptosis inducer (
CHEBI:68495
)
dibromoacetic acid (
CHEBI:90124
)
has role
geroprotector (
CHEBI:176497
)
dibromoacetic acid (
CHEBI:90124
)
has role
marine metabolite (
CHEBI:76507
)
dibromoacetic acid (
CHEBI:90124
)
is a
2-bromocarboxylic acid (
CHEBI:134367
)
dibromoacetic acid (
CHEBI:90124
)
is a
monocarboxylic acid (
CHEBI:25384
)
IUPAC Name
dibromoacetic acid
Synonyms
Sources
2,2-Dibromoacetic acid
KEGG COMPOUND
2,2-dibromoethanoic acid
LIPID MAPS
DBAA
KEGG COMPOUND
Dibromoethanoic acid
NIST Chemistry WebBook
Manual Xrefs
Databases
11926
ChemSpider
C20123
KEGG COMPOUND
LMFA01090076
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1700457
Reaxys Registry Number
Reaxys
631-64-1
CAS Registry Number
NIST Chemistry WebBook
631-64-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
23348848
PubMed citation
Europe PMC
25556763
PubMed citation
Europe PMC
25955755
PubMed citation
Europe PMC
26052022
PubMed citation
Europe PMC
26188195
PubMed citation
Europe PMC
Last Modified
26 October 2021