2,4-D (CHEBI:28854)

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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

Supplier Information

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Formulae

C8H6Cl2O3
C8H6Cl2O3

Net Charge

Average Mass

221.03684

Monoisotopic Mass

219.96940

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. phenoxy herbicide Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group. defoliant A herbicide which when sprayed or dusted on plants causes its leaves to fall off.

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 phenoxy herbicide (CHEBI:60575) 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

Manual Xrefs	Databases
2,4-d	Alan Wood's Pesticides
2,4-Dichlorophenoxyacetic_acid	Wikipedia
4	PPDB
C03664	KEGG COMPOUND
CFA	PDBeChem
CPD-9009	MetaCyc
HMDB0041797	HMDB
LSM-19988	LINCS
View more database links

Last Modified

18 November 2019

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag