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benzoic acid (CHEBI:30746)

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ChEBI Name	benzoic acid

ChEBI ID	CHEBI:30746

Definition	A compound comprising a benzene ring core carrying a carboxylic acid substituent.

Last Modified	23 November 2009

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:113371, CHEBI:22722, CHEBI:3029, CHEBI:41051

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InChI

InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/f/h8H

InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/f/h8H

InChIKey

InChIKey=WPYMKLBDIGXBTP-FZOZFQFYCI

InChIKey=WPYMKLBDIGXBTP-FZOZFQFYCI

SMILES

OC(=O)c1ccccc1

OC(=O)c1ccccc1

Formula	Source
C7H6O2	KEGG COMPOUND

Charge

0

Mass

122.12134

ChEBI Ontology
Tree view
Outgoing	benzoic acid (CHEBI:30746) is conjugate acid of benzoate (CHEBI:16150) benzoic acid (CHEBI:30746) is a benzoic acids (CHEBI:22723)
Incoming	2,4-dichlorobenzoic acid (CHEBI:30748) has functional parent benzoic acid (CHEBI:30746) 2-chlorobenzoic acid (CHEBI:30793) has functional parent benzoic acid (CHEBI:30746) 3-chlorobenzoic acid (CHEBI:49410) has functional parent benzoic acid (CHEBI:30746) 4-chlorobenzoic acid (CHEBI:30747) has functional parent benzoic acid (CHEBI:30746) p-mercuribenzoic acid (CHEBI:28886) has functional parent benzoic acid (CHEBI:30746) p-chloromercuribenzoic acid (CHEBI:28420) has functional parent benzoic acid (CHEBI:30746) 4-aminobenzoic acid (CHEBI:30753) has functional parent benzoic acid (CHEBI:30746) 3-aminobenzoic acid (CHEBI:42682) has functional parent benzoic acid (CHEBI:30746) 3-ethoxybenzoic acid (CHEBI:27990) has functional parent benzoic acid (CHEBI:30746) 2,3-dihydroxybenzoic acid (CHEBI:18026) has functional parent benzoic acid (CHEBI:30746) 2,5-dihydroxybenzoic acid (CHEBI:17189) has functional parent benzoic acid (CHEBI:30746) 3,4-dihydroxybenzoic acid (CHEBI:36062) has functional parent benzoic acid (CHEBI:30746) 3-hexaprenyl-4,5-dihydroxybenzoic acid (CHEBI:18081) has functional parent benzoic acid (CHEBI:30746) hydroxybenzoic acids (CHEBI:24676) has functional parent benzoic acid (CHEBI:30746) 4-methoxybenzoic acid (CHEBI:40813) has functional parent benzoic acid (CHEBI:30746) benzoyloxy group (CHEBI:48543) is substituent group from benzoic acid (CHEBI:30746) benzoylacetonitrile (CHEBI:51855) has functional parent benzoic acid (CHEBI:30746) benzoyl cyanide (CHEBI:51853) has functional parent benzoic acid (CHEBI:30746) 3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)benzoic acid (CHEBI:171408) has functional parent benzoic acid (CHEBI:30746) 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116) has functional parent benzoic acid (CHEBI:30746) 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49223) has functional parent benzoic acid (CHEBI:30746) 4-hydroxy-3-octaprenylbenzoic acid (CHEBI:50116) has functional parent benzoic acid (CHEBI:30746) 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:16835) has functional parent benzoic acid (CHEBI:30746) 2-nitrobenzoic acid (CHEBI:25620) has functional parent benzoic acid (CHEBI:30746) 4-sulfobenzoic acid (CHEBI:30789) has functional parent benzoic acid (CHEBI:30746) 4-(β-D-glucosyloxy)benzoic acid (CHEBI:16741) has functional parent benzoic acid (CHEBI:30746) benzoyl group (CHEBI:22733) is substituent group from benzoic acid (CHEBI:30746) benzohydrazide (CHEBI:38454) has functional parent benzoic acid (CHEBI:30746) macrophomic acid (CHEBI:38227) has functional parent benzoic acid (CHEBI:30746) 2-succinylbenzoic acid (CHEBI:44788) has functional parent benzoic acid (CHEBI:30746) benzoate (CHEBI:16150) is conjugate base of benzoic acid (CHEBI:30746) 3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) has functional parent benzoic acid (CHEBI:30746) 3,4-dihydroxybenzoate (CHEBI:36241) has functional parent benzoic acid (CHEBI:30746) 3,5-dichloro-4-hydroxybenzoic acid (CHEBI:53685) has functional parent benzoic acid (CHEBI:30746) 4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acid (CHEBI:39493) has functional parent benzoic acid (CHEBI:30746) 2,6-dichlorobenzoic acid (CHEBI:48623) has functional parent benzoic acid (CHEBI:30746) fluorobenzoic acid (CHEBI:24071) has functional parent benzoic acid (CHEBI:30746) 4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid (CHEBI:43250) has functional parent benzoic acid (CHEBI:30746) 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one (CHEBI:45265) has functional parent benzoic acid (CHEBI:30746) 4-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid (CHEBI:40589) has functional parent benzoic acid (CHEBI:30746) 1-(4-carboxy-2-guanidinophenyl)-5,5-bis(hydroxymethyl)pyrrolidin-2-one (CHEBI:45331) has functional parent benzoic acid (CHEBI:30746) pentafluorobenzoic acid (CHEBI:46796) has functional parent benzoic acid (CHEBI:30746) 4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoic acid (CHEBI:41099) has functional parent benzoic acid (CHEBI:30746) 2-({3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid (CHEBI:432795) has functional parent benzoic acid (CHEBI:30746) 2-chloro-5-(5-{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid (CHEBI:47673) has functional parent benzoic acid (CHEBI:30746) 4-{5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid (CHEBI:41325) has functional parent benzoic acid (CHEBI:30746) benzoic anhydride (CHEBI:38815) has functional parent benzoic acid (CHEBI:30746) benzamidine (CHEBI:41033) has functional parent benzoic acid (CHEBI:30746) 3-oxalobenzoic acid (CHEBI:30876) has functional parent benzoic acid (CHEBI:30746) benzonitrile (CHEBI:27991) has functional parent benzoic acid (CHEBI:30746)

IUPAC Name

benzoic acid

Synonyms	Sources
acide benzoïque	ChEBI
Benzenecarboxylic acid	KEGG COMPOUND
Benzoesäure	ChEBI
BENZOIC ACID	MSDchem
Benzoic acid	KEGG COMPOUND
Dracylic acid	KEGG COMPOUND
Phenylformic acid	KEGG COMPOUND

Database Links	Databases
BEZ	MSDchem
C00180	KEGG COMPOUND
113371	ChEMBL

Registry Numbers	Types	Sources
2946	Gmelin Registry Number	Gmelin
636131	Beilstein Registry Number	Beilstein
65-85-0	CAS Registry Number	KEGG COMPOUND
65-85-0	CAS Registry Number	NIST Chemistry WebBook
65-85-0	CAS Registry Number	ChemIDplus

Citations	Types	Sources
10866370	PubMed citation	ChEMBL
11300874	PubMed citation	ChEMBL
12127537	PubMed citation	ChEMBL
15026070	PubMed citation	ChEMBL
1527790	PubMed citation	ChEMBL
1560438	PubMed citation	ChEMBL
15857133	PubMed citation	ChEMBL
17149871	PubMed citation	ChEMBL
17258462	PubMed citation	ChEMBL
17300161	PubMed citation	ChEMBL
17827020	PubMed citation	ChEMBL
17931865	PubMed citation	ChEMBL
3599019	PubMed citation	ChEMBL
8411009	PubMed citation	ChEMBL
8667357	PubMed citation	ChEMBL
9406595	PubMed citation	ChEMBL