CHEBI:113455 - sodium benzoate

ChEBI IDCHEBI:113455
ChEBI Namesodium benzoate
Stars
DefinitionAn organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion.
Last Modified5 June 2023
DownloadsMolfile
FormulaC7H5O2.Na
Net Charge0
Average Mass144.105
Monoisotopic Mass144.01872
SMILESO=C([O-])c1ccccc1.[Na+]
InChIInChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChIKeyWXMKPNITSTVMEF-UHFFFAOYSA-M
Wikipedia
Species of MetaboliteComponentSourceComments
Chlamydomonas reinhardtii (ncbitaxon:3055) - PubMed (25515814)
Paeonia rockii subsp. rockii (ncbitaxon:459179) root (BTO:0001188) PubMed (21954959) Isolated from chloroform soluble extract of air-dried and powdered roots
Piper sarmentosum (ncbitaxon:405319) twig (BTO:0001411) PubMed (21973101) Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence)
Rhododendron ferrugineum (ncbitaxon:49622) leaf (BTO:0000713) PubMed (21443171) MeOH extract of CHCl3 soluble fraction of air-dried,powdered leaves,p-anisic & benzoic acid mixture
Stachylidium (ncbitaxon:796327) - PubMed (21162532) Marine derived fungus isolated from sponge Callyspongia sp. cf. C. flammea Strain: 220
Roles Classification
Chemical Role:
antimicrobial food preservative  A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antimicrobial food preservative  A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
EC 3.1.1.3 (triacylglycerol lipase) inhibitor  Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of triacylglycerol lipase (EC 3.1.1.3).
drug allergen  Any drug which causes the onset of an allergic reaction.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor  A lipoxygenase inhibitor that interferes with the action of arachidonate 15-lipoxygenase (EC 1.13.11.33).
Applications:
antimicrobial food preservative  A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
sodium benzoate (CHEBI:113455) has part benzoate (CHEBI:16150)
sodium benzoate (CHEBI:113455) has role algal metabolite (CHEBI:84735)
sodium benzoate (CHEBI:113455) has role antimicrobial food preservative (CHEBI:65256)
sodium benzoate (CHEBI:113455) has role drug allergen (CHEBI:88188)
sodium benzoate (CHEBI:113455) has role EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor (CHEBI:64996)
sodium benzoate (CHEBI:113455) has role EC 3.1.1.3 (triacylglycerol lipase) inhibitor (CHEBI:65001)
sodium benzoate (CHEBI:113455) has role human xenobiotic metabolite (CHEBI:76967)
sodium benzoate (CHEBI:113455) has role plant metabolite (CHEBI:76924)
sodium benzoate (CHEBI:113455) is a organic sodium salt (CHEBI:38700)
Incoming Relation(s)
sodium caffeine benzoate (CHEBI:32140) has part sodium benzoate (CHEBI:113455)
IUPAC Name 
sodium benzoate
Synonyms  Source
Benzoic acid, sodium saltChemIDplus
E211ChEBI
Brand Name  Source
Sodium benzoateKEGG DRUG
Manual XrefsDatabases
D02277KEGG DRUG
Sodium_benzoateWikipedia
Registry NumbersSources
Reaxys:1100243Reaxys
CAS:532-32-1NIST Chemistry WebBook
CAS:532-32-1ChemIDplus
CAS:532-32-1KEGG DRUG
Citations