5-amino-2-(dimethylamino)benzoic acid (CHEBI:183679)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5-amino-2-(dimethylamino)benzoic acid

ChEBI ID	CHEBI:183679

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H12N2O2

Net Charge

Average Mass

180.207

Monoisotopic Mass

180.08988

InChI

InChI=1S/C9H12N2O2/c1-11(2)8-4-3-6(10)5-7(8)9(12)13/h3-5H,10H2,1-2H3,(H,12,13)

InChIKey

OROBFLSZISKPSY-UHFFFAOYSA-N

SMILES

OC(=O)C1=C(N(C)C)C=CC(N)=C1

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	5-amino-2-(dimethylamino)benzoic acid (CHEBI:183679) is a aminobenzoic acid (CHEBI:22495)

IUPAC Name

5-amino-2-(dimethylamino)benzoic acid