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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 19808
        role 19784
          biological role 19782
            antimicrobial agent 18141
              antimicrobial food preservative 12488
                benzoic acid 5327
                  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 + 21
                  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 + 54
                  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 + 3
                  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 + 31
                  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 + 871
                  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 20
                  fluorobenzoic acid + 1
                  geranyl benzoate 0
                  hexadecyl benzoate 0
                  hydroxybenzoic acid + 4794
                  isobutyl benzoate 0
                  macrophomic acid 0
                  metronidazole benzoate 0
                  octyl benzoate 0
                  p-chloromercuribenzoic acid 835
                  p-mercuribenzoic acid 0
                  pentafluorobenzoic acid + 0
                  phenethyl benzoate 0
                  tert-butyl benzoate 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19808
        subatomic particle 19806
          composite particle 19806
            hadron 19806
              baryon 19806
                nucleon 19806
                  atomic nucleus 19806
                    atom 19806
                      main group element atom 19756
                        p-block element atom 19756
                          carbon group element atom 19705
                            carbon atom 19702
                              organic molecular entity 19702
                                heteroorganic entity 19460
                                  organochalcogen compound 19224
                                    organooxygen compound 19141
                                      carbon oxoacid 18612
                                        carboxylic acid 18609
                                          aromatic carboxylic acid 12598
                                            benzoic acids 12575
                                              benzoic acid 5327
                                                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 + 21
                                                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 + 54
                                                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 + 3
                                                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 + 31
                                                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 + 871
                                                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 20
                                                fluorobenzoic acid + 1
                                                geranyl benzoate 0
                                                hexadecyl benzoate 0
                                                hydroxybenzoic acid + 4794
                                                isobutyl benzoate 0
                                                macrophomic acid 0
                                                metronidazole benzoate 0
                                                octyl benzoate 0
                                                p-chloromercuribenzoic acid 835
                                                p-mercuribenzoic acid 0
                                                pentafluorobenzoic acid + 0
                                                phenethyl benzoate 0
                                                tert-butyl benzoate 0
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