benzoate (BioCAD00000230841)

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Metabolite Card

Formula: C7H5O2 (121.029)
SMILES: [O-]C(=O)C1=CC=CC=C1

Synonyms [en]

Acids, Benzoic; Phenylformate; Benzoic acid, ion(1-); benzoate; Benzeneformate; Benzoate anion

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

benzoate. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000230841). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

Benzoate, also known as benzoic acid or benzenecarboxylate, is a member of the class of compounds known as benzoic acids. Benzoic acids are organic Compounds containing a benzene ring which bears at least one carboxyl group. Benzoate is soluble (in water) and a weakly acidic compound (based on its pKa). Benzoate can be found in a number of food items such as malus (crab apple), broccoli, pepper (c. annuum), and corn salad, which makes benzoate a potential biomarker for the consumption of these food products. Benzoic acid , C7H6O2 (or C6H5COOH), is a colorless crystalline solid and a simple aromatic carboxylic acid. The name is derived from gum benzoin, which was for a long time its only known source. Benzoic acid occurs naturally in many plants and serves as an intermediate in the biosynthesis of many secondary metabolites. Salts of benzoic acid are used as food preservatives and benzoic acid is an important precursor for the industrial synthesis of many other organic substances. The salts and esters of benzoic acid are known as benzoates .

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 766-76-7
  • PubChem: 242
  • ChEBI: ChEBI:16150
  • HMDB: HMDB0304270
  • NCBI MeSH: Benzoates
  • Wikipedia: Benzoate ion
  • DrugBank: DBMET01436

Class / Ontology

Metabolic Network
ID EC Number Name
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Organism Source

Taxonomy Source

Pathway Synthetic

pathway id name
BioCyc:META_PWY-6954 superpathway of aromatic compound degradation via 2-hydroxypentadienoate
BioCyc:META_PWY-5883 ephedrine biosynthesis
BioCyc:META_PWY-7008 2-hydroxybiphenyl degradation
BioCyc:META_TOLUENE-DEG-CATECHOL-PWY toluene degradation to benzoate
BioCyc:META_PWY-5178 toluene degradation IV (aerobic) (via catechol)
BioCyc:META_PWY-6957 mandelate degradation to acetyl-CoA
BioCyc:META_PWY-5183 superpathway of aerobic toluene degradation
BioCyc:ARA_PWY-6444 benzoate biosynthesis II (CoA-independent, non-β-oxidative)
BioCyc:SCO_PWY-2503 benzoate degradation I (aerobic)
BioCyc:META_PWY-6444 benzoate biosynthesis II (CoA-independent, non-β-oxidative)
BioCyc:META_PWY-7402 benzoate fermentation (to acetate and cyclohexane carboxylate)
BioCyc:META_PWY-7468 benzoyl-β-D-glucopyranose biosynthesis
BioCyc:ARA_PWY-4203 volatile benzenoid biosynthesis I (ester formation)
BioCyc:ARA_PWY-6443 benzoate biosynthesis I (CoA-dependent, β-oxidative)
BioCyc:ARA_PWY-6446 benzoate biosynthesis III (CoA-dependent, non-β-oxidative)
BioCyc:META_PWY-4203 volatile benzenoid biosynthesis I (ester formation)
BioCyc:META_PWY-6443 benzoate biosynthesis I (CoA-dependent, β-oxidative)
BioCyc:META_PWY-6766 salicin biosynthesis
BioCyc:META_4-HYDROXYMANDELATE-DEGRADATION-PWY 4-hydroxymandelate degradation
BioCyc:META_PWY-2504 superpathway of aromatic compound degradation via 3-oxoadipate
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