CHEBI:28854 - 2,4-D

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ChEBI Name 2,4-D
ChEBI ID CHEBI:28854
Definition A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Johnny Lloyd
Secondary ChEBI IDs CHEBI:48791, CHEBI:73176, CHEBI:910
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Formulae C8H6Cl2O3
C8H6Cl2O3
Net Charge 0
Average Mass 221.03684
Monoisotopic Mass 219.969
InChI InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey OVSKIKFHRZPJSS-UHFFFAOYSA-N
SMILES OC(=O)COc1ccc(Cl)cc1Cl
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): EC 1.1.1.25 (shikimate dehydrogenase) inhibitor
An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of shikimate dehydrogenase (EC 1.1.1.25).
synthetic auxin
A synthetic compound exhibiting auxin activity.
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
defoliant
A herbicide which when sprayed or dusted on plants causes its leaves to fall off.
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ChEBI Ontology
Outgoing 2,4-D (CHEBI:28854) has role agrochemical (CHEBI:33286)
2,4-D (CHEBI:28854) has role defoliant (CHEBI:23582)
2,4-D (CHEBI:28854) has role EC 1.1.1.25 (shikimate dehydrogenase) inhibitor (CHEBI:77484)
2,4-D (CHEBI:28854) has role environmental contaminant (CHEBI:78298)
2,4-D (CHEBI:28854) has role synthetic auxin (CHEBI:26841)
2,4-D (CHEBI:28854) is a chlorophenoxyacetic acid (CHEBI:23152)
2,4-D (CHEBI:28854) is a dichlorobenzene (CHEBI:23697)
2,4-D (CHEBI:28854) is conjugate acid of (2,4-dichlorophenoxy)acetate (CHEBI:19351)
Incoming (2,4-dichlorophenoxy)acetate (CHEBI:19351) is conjugate base of 2,4-D (CHEBI:28854)
IUPAC Name
(2,4-dichlorophenoxy)acetic acid
Synonyms Sources
(2,4-Dichlorphenoxy)essigsäure ChEBI
2,4-D KEGG COMPOUND
2,4-D acid ChemIDplus
2,4-Dichlorophenoxyacetate KEGG COMPOUND
2,4-Dichlorophenoxyacetic acid KEGG COMPOUND
2,4-Dichlorphenoxyessigsäure ChEBI
acide 2,4-dichloro phenoxyacetique ChemIDplus
Hedonal NIST Chemistry WebBook
Trinoxol NIST Chemistry WebBook
Database Links Databases
2,4-d Alan Wood's Pesticides
2,4-Dichlorophenoxyacetic_acid Wikipedia
C03664 KEGG COMPOUND
CFA PDBeChem
CPD-9009 MetaCyc
HMDB41797 HMDB
LSM-19988 LINCS
View more database links
Registry Numbers Types Sources
1214242 Reaxys Registry Number Reaxys
1214242 Beilstein Registry Number Beilstein
51306 Gmelin Registry Number Gmelin
94-75-7 CAS Registry Number KEGG COMPOUND
94-75-7 CAS Registry Number ChemIDplus
94-75-7 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
10794133 PubMed citation Europe PMC
11165716 PubMed citation Europe PMC
11423340 PubMed citation Europe PMC
11566291 PubMed citation Europe PMC
12231832 PubMed citation Europe PMC
15198722 PubMed citation Europe PMC
16785163 PubMed citation Europe PMC
17568655 PubMed citation Europe PMC
18969687 PubMed citation Europe PMC
6362003 PubMed citation Europe PMC
Last Modified
25 February 2016
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag