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:46745 - 2,3-dihydroxy-DDT
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2,3-dihydroxy-DDT
ChEBI ID
CHEBI:46745
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:880, CHEBI:19314
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
C14H9Cl5O2
Net Charge
0
Average Mass
386.48356
Monoisotopic Mass
383.90452
InChI
InChI=1S/C14H9Cl5O2/c15-8-3-1-7(2-4-8)11(14(17,18)19)9-5-6-10(16)13(21)12(9)20/h1-6,11,20-21H
InChIKey
WCDSWTZUKCXFRE-UHFFFAOYSA-N
SMILES
Oc1c(Cl)ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c1O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,3-dihydroxy-DDT (
CHEBI:46745
)
has functional parent
DDT (
CHEBI:16130
)
2,3-dihydroxy-DDT (
CHEBI:46745
)
has role
mouse metabolite (
CHEBI:75771
)
2,3-dihydroxy-DDT (
CHEBI:46745
)
is a
chlorocatechol (
CHEBI:23138
)
2,3-dihydroxy-DDT (
CHEBI:46745
)
is a
monochlorobenzenes (
CHEBI:83403
)
Incoming
DDT-2,3-dihydrodiol (
CHEBI:46744
)
has functional parent
2,3-dihydroxy-DDT (
CHEBI:46745
)
IUPAC Name
3-chloro-6-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene-1,2-diol
Synonyms
Sources
2,3-Dihydroxy 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane
KEGG COMPOUND
2,3-Dihydroxy DDT
KEGG COMPOUND
Manual Xrefs
Databases
c0420
UM-BBD
C06650
KEGG COMPOUND
View more database links
Last Modified
27 January 2016