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benzoate (CHEBI:16150)

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ChEBI Name	benzoate

ChEBI ID	CHEBI:16150

Definition	The conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1.

Last Modified	02 December 2009

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

Secondary ChEBI IDs	CHEBI:606524, CHEBI:22717, CHEBI:13879

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InChI

InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1/fC7H5O2/q-1

InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1/fC7H5O2/q-1

InChIKey

InChIKey=WPYMKLBDIGXBTP-UJYIWYDQCH

InChIKey=WPYMKLBDIGXBTP-UJYIWYDQCH

SMILES

[O-]C(=O)c1ccccc1

[O-]C(=O)c1ccccc1

Formula	Source
C7H5O2	ChEBI

Charge

-1

Mass

121.11340

ChEBI Ontology
Tree view
Outgoing	benzoate (CHEBI:16150) is conjugate base of benzoic acid (CHEBI:30746) benzoate (CHEBI:16150) is a benzoates (CHEBI:22718)
Incoming	4-sulfonatobenzoate(2−) (CHEBI:20476) has functional parent benzoate (CHEBI:16150) 4-(β-D-glucosyloxy)benzoate (CHEBI:11935) is a benzoate (CHEBI:16150) 2,4-dichlorobenzoate (CHEBI:28995) has functional parent benzoate (CHEBI:16150) 3-chlorobenzoate (CHEBI:19984) has functional parent benzoate (CHEBI:16150) 4-chlorobenzoate (CHEBI:17861) has functional parent benzoate (CHEBI:16150) 2-fluorobenzoate (CHEBI:27839) has functional parent benzoate (CHEBI:16150) 3-fluorobenzoate (CHEBI:28665) has functional parent benzoate (CHEBI:16150) 4-fluorobenzoate (CHEBI:27893) has functional parent benzoate (CHEBI:16150) 4-aminobenzoate (CHEBI:17836) has functional parent benzoate (CHEBI:16150) o-hydroxyaminobenzoate (CHEBI:25618) has functional parent benzoate (CHEBI:16150) 3-hydroxybenzoate (CHEBI:16193) has functional parent benzoate (CHEBI:16150) 3,5-dibromo-4-hydroxybenzoate (CHEBI:27544) has functional parent benzoate (CHEBI:16150) 4-hydroxybenzoate (CHEBI:17879) has functional parent benzoate (CHEBI:16150) p-mercuribenzoate (CHEBI:20435) has functional parent benzoate (CHEBI:16150) 4-methoxybenzoate (CHEBI:16639) has functional parent benzoate (CHEBI:16150) 2-nitrobenzoate (CHEBI:25619) has functional parent benzoate (CHEBI:16150) 2-chlorobenzoate (CHEBI:28303) has functional parent benzoate (CHEBI:16150) cloperastine fendizoate (CHEBI:31419) has functional parent benzoate (CHEBI:16150) 4-hydroxy-3-octaprenylbenzoate (CHEBI:1617) has functional parent benzoate (CHEBI:16150) 2,3-dihydroxybenzoate (CHEBI:36654) has functional parent benzoate (CHEBI:16150) macrophomate (CHEBI:38228) has functional parent benzoate (CHEBI:16150) benzoic acid (CHEBI:30746) is conjugate acid of benzoate (CHEBI:16150) 3,4-dihydroxybenzoate (CHEBI:36241) has functional parent benzoate (CHEBI:16150) 3,5-dichloro-4-hydroxybenzoate (CHEBI:53686) has functional parent benzoate (CHEBI:16150) 2,6-dichlorobenzoate (CHEBI:48624) has functional parent benzoate (CHEBI:16150) 3-ethoxybenzoate (CHEBI:36648) has functional parent benzoate (CHEBI:16150)

IUPAC Name

benzoate

Synonyms	Sources
benzoate	IntEnz
benzoate anion	NIST Chemistry WebBook
benzoic acid, ion(1−)	ChemIDplus

Database Links	Databases
C00180	KEGG COMPOUND
c0121	UM-BBD
606524	ChEMBL

Registry Numbers	Types	Sources
1862486	Beilstein Registry Number	Beilstein
2945	Gmelin Registry Number	Gmelin
766-76-7	CAS Registry Number	ChemIDplus
766-76-7	CAS Registry Number	NIST Chemistry WebBook

Citation	Type	Source
17553798	PubMed citation	ChEMBL