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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:benzoic acid
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Accession:CHEBI:30746 term browser browse the term
Definition:A compound comprising a benzene ring core carrying a carboxylic acid substituent.
Synonyms:related_synonym: Aromatic carboxylic acid;   Benzenecarboxylic acid;   Benzeneformic acid;   Benzenemethanoic acid;   Benzoesaeure;   Dracylic acid;   E210;   Formula=C7H6O2;   InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9);   InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-N;   Phenylcarboxylic acid;   Phenylformic acid;   SMILES=OC(=O)c1ccccc1;   acide benzoique
 alt_id: CHEBI:22722;   CHEBI:3029;   CHEBI:41051
 xref: Beilstein:636131;   CAS:65-85-0;   DrugBank:DB03793;   Drug_Central:4664;   Gmelin:2946;   HMDB:HMDB0001870;   KEGG:C00180;   KEGG:C00539;   KEGG:D00038;   KNApSAcK:C00000207;   LINCS:LSM-37118
 xref_mesh: MESH:D019817
 xref: MetaCyc:BENZOATE;   PDBeChem:BEZ;   PMID:16728954;   PMID:17439666;   PMID:18314336;   PPDB:1475;   Reaxys:636131;   Wikipedia:Benzoic_Acid;   YMDB:YMDB02301
 cyclic_relationship: is_conjugate_acid_of CHEBI:16150


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19751
        role 19724
          biological role 19722
            antimicrobial agent 17897
              antimicrobial food preservative 11954
                benzoic acid 4341
                  1-(4-carboxy-2-guanidinophenyl)-5,5-bis(hydroxymethyl)pyrrolidin-2-one 0
                  1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one 0
                  2,3-dichlorobenzoic acid 0
                  2,3-dihydroxybenzoic acid + 3
                  2,3-dimethylbenzoic acid 0
                  2,4,6-trimethylbenzoic acid 0
                  2,4-dichlorobenzoic acid + 0
                  2,4-dimethylbenzoic acid 0
                  2,5-dihydroxybenzoic acid + 8
                  2,5-dimethylbenzoic acid 0
                  2,6-dichlorobenzoic acid + 0
                  2,6-dimethylbenzoic acid 0
                  2-(\{3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl\}methyl)benzoic acid 0
                  2-(benzoylamino)-4-nitrobenzoic acid 0
                  2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate 0
                  2-chloro-5-(5-\{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl\}furan-2-yl)benzoic acid 0
                  2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid 0
                  2-halobenzoic acid + 1
                  2-nitrobenzoic acid 0
                  2-succinylbenzoic acid + 0
                  3,4,5-trimethoxybenzoic acid + 0
                  3,4-dihydroxybenzoic acid + 47
                  3,4-dimethoxybenzoic acid + 0
                  3,4-dimethylbenzoic acid 0
                  3,5-dibromo-4-hydroxybenzoic acid 0
                  3,5-dichloro-4-hydroxybenzoic acid 0
                  3,5-dichlorobenzoic acid 0
                  3,5-dihydroxybenzoic acid 1
                  3,5-dimethylbenzoic acid 0
                  3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)benzoic acid 0
                  3-aminobenzoic acid + 2
                  3-bromo-4,5-dihydroxybenzoic acid 0
                  3-bromo-4-hydroxybenzoic acid 0
                  3-chlorobenzoic acid 0
                  3-ethoxybenzoic acid 0
                  3-hexaprenyl-4,5-dihydroxybenzoic acid 0
                  3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid 0
                  3-hydroxybenzoic acid + 2
                  3-oxalobenzoic acid 0
                  4-(2-carboxyphenyl)-2-oxobut-3-enoic acid + 0
                  4-(4-\{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl\}butyl)benzoic acid 0
                  4-(beta-D-glucosyloxy)benzoic acid 0
                  4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid 0
                  4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoic acid 0
                  4-\{5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl\}benzoic acid 0
                  4-\{[(2R,5S)-5-\{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl\}pyrrolidin-2-yl]methoxy\}-3-tert-butylbenzoic acid 0
                  4-aminobenzoic acid + 27
                  4-chlorobenzoic acid + 0
                  4-hydroxy-3-octaprenylbenzoic acid 0
                  4-isothiocyanatobenzoic acid 0
                  4-methoxybenzoic acid + 0
                  4-nitrobenzoic acid + 0
                  4-sulfobenzoic acid 0
                  5-chlorosalicylic acid + 270
                  5-sulfosalicylic acid 0
                  N-benzoyl-D-arginines + 0
                  N-benzoyl-L-arginine 0
                  N-benzoyl-L-phenylalaninol + 2
                  benzamidine 4
                  benzohydrazide + 5
                  benzoic anhydride + 0
                  benzoyl chloride + 1
                  benzoyl cyanide 0
                  benzoyl group 0
                  benzoyl-CoA + 0
                  benzoyl-beta-D-glucoside 0
                  benzoylacetonitrile 0
                  benzoyloxy group 0
                  benzyl benzoate 8
                  carboxy-PTIO 10
                  fluorobenzoic acid + 1
                  geranyl benzoate 0
                  hexadecyl benzoate 0
                  hydroxybenzoic acid + 3751
                  isobutyl benzoate 0
                  macrophomic acid 0
                  metronidazole benzoate 0
                  octyl benzoate 0
                  p-chloromercuribenzoic acid 832
                  p-mercuribenzoic acid 0
                  pentafluorobenzoic acid + 0
                  phenethyl benzoate 0
                  tert-butyl benzoate 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19751
        subatomic particle 19749
          composite particle 19749
            hadron 19749
              baryon 19749
                nucleon 19749
                  atomic nucleus 19749
                    atom 19749
                      main group element atom 19698
                        p-block element atom 19698
                          carbon group element atom 19644
                            carbon atom 19640
                              organic molecular entity 19640
                                organic group 18846
                                  organic divalent group 18832
                                    organodiyl group 18832
                                      carbonyl group 18799
                                        carbonyl compound 18799
                                          carboxylic acid 18515
                                            aromatic carboxylic acid 11797
                                              benzoic acids 11771
                                                benzoic acid 4341
                                                  1-(4-carboxy-2-guanidinophenyl)-5,5-bis(hydroxymethyl)pyrrolidin-2-one 0
                                                  1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one 0
                                                  2,3-dichlorobenzoic acid 0
                                                  2,3-dihydroxybenzoic acid + 3
                                                  2,3-dimethylbenzoic acid 0
                                                  2,4,6-trimethylbenzoic acid 0
                                                  2,4-dichlorobenzoic acid + 0
                                                  2,4-dimethylbenzoic acid 0
                                                  2,5-dihydroxybenzoic acid + 8
                                                  2,5-dimethylbenzoic acid 0
                                                  2,6-dichlorobenzoic acid + 0
                                                  2,6-dimethylbenzoic acid 0
                                                  2-(\{3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl\}methyl)benzoic acid 0
                                                  2-(benzoylamino)-4-nitrobenzoic acid 0
                                                  2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate 0
                                                  2-chloro-5-(5-\{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl\}furan-2-yl)benzoic acid 0
                                                  2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid 0
                                                  2-halobenzoic acid + 1
                                                  2-nitrobenzoic acid 0
                                                  2-succinylbenzoic acid + 0
                                                  3,4,5-trimethoxybenzoic acid + 0
                                                  3,4-dihydroxybenzoic acid + 47
                                                  3,4-dimethoxybenzoic acid + 0
                                                  3,4-dimethylbenzoic acid 0
                                                  3,5-dibromo-4-hydroxybenzoic acid 0
                                                  3,5-dichloro-4-hydroxybenzoic acid 0
                                                  3,5-dichlorobenzoic acid 0
                                                  3,5-dihydroxybenzoic acid 1
                                                  3,5-dimethylbenzoic acid 0
                                                  3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)benzoic acid 0
                                                  3-aminobenzoic acid + 2
                                                  3-bromo-4,5-dihydroxybenzoic acid 0
                                                  3-bromo-4-hydroxybenzoic acid 0
                                                  3-chlorobenzoic acid 0
                                                  3-ethoxybenzoic acid 0
                                                  3-hexaprenyl-4,5-dihydroxybenzoic acid 0
                                                  3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid 0
                                                  3-hydroxybenzoic acid + 2
                                                  3-oxalobenzoic acid 0
                                                  4-(2-carboxyphenyl)-2-oxobut-3-enoic acid + 0
                                                  4-(4-\{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl\}butyl)benzoic acid 0
                                                  4-(beta-D-glucosyloxy)benzoic acid 0
                                                  4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid 0
                                                  4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoic acid 0
                                                  4-\{5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl\}benzoic acid 0
                                                  4-\{[(2R,5S)-5-\{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl\}pyrrolidin-2-yl]methoxy\}-3-tert-butylbenzoic acid 0
                                                  4-aminobenzoic acid + 27
                                                  4-chlorobenzoic acid + 0
                                                  4-hydroxy-3-octaprenylbenzoic acid 0
                                                  4-isothiocyanatobenzoic acid 0
                                                  4-methoxybenzoic acid + 0
                                                  4-nitrobenzoic acid + 0
                                                  4-sulfobenzoic acid 0
                                                  5-chlorosalicylic acid + 270
                                                  5-sulfosalicylic acid 0
                                                  N-benzoyl-D-arginines + 0
                                                  N-benzoyl-L-arginine 0
                                                  N-benzoyl-L-phenylalaninol + 2
                                                  benzamidine 4
                                                  benzohydrazide + 5
                                                  benzoic anhydride + 0
                                                  benzoyl chloride + 1
                                                  benzoyl cyanide 0
                                                  benzoyl group 0
                                                  benzoyl-CoA + 0
                                                  benzoyl-beta-D-glucoside 0
                                                  benzoylacetonitrile 0
                                                  benzoyloxy group 0
                                                  benzyl benzoate 8
                                                  carboxy-PTIO 10
                                                  fluorobenzoic acid + 1
                                                  geranyl benzoate 0
                                                  hexadecyl benzoate 0
                                                  hydroxybenzoic acid + 3751
                                                  isobutyl benzoate 0
                                                  macrophomic acid 0
                                                  metronidazole benzoate 0
                                                  octyl benzoate 0
                                                  p-chloromercuribenzoic acid 832
                                                  p-mercuribenzoic acid 0
                                                  pentafluorobenzoic acid + 0
                                                  phenethyl benzoate 0
                                                  tert-butyl benzoate 0
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