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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:octanoic acid
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Accession:CHEBI:28837 term browser browse the term
Definition:A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid.
Synonyms:related_synonym: 1-heptanecarboxylic acid;   8:0;   Acide octanoique;   Acido octanoico;   Acidum octanocium;   C8:0;   CH3-[CH2]6-COOH;   Caprylic acid;   Formula=C8H16O2;   InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10);   InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-N;   Kaprylsaeure;   OCTANOIC ACID (CAPRYLIC ACID);   Octansaeure;   Octylic acid;   SMILES=CCCCCCCC(O)=O;   acidum octanoicum;   n-caprylic acid;   n-octanoic acid;   n-octoic acid;   n-octylic acid;   octoic acid
 alt_id: CHEBI:25648;   CHEBI:3373;   CHEBI:44501
 xref: Beilstein:1747180;   CAS:124-07-2;   DrugBank:DB04519;   Drug_Central:3998;   Gmelin:142966;   HMDB:HMDB0000482;   KEGG:C06423;   KEGG:D05220;   KNApSAcK:C00001231;   LIPID_MAPS_instance:LMFA01010008
 xref_mesh: MESH:C031492
 xref: MetaCyc:CPD-195;   PDBeChem:OCA;   PMID:16162522;   PMID:16872526;   PMID:19096058;   Reaxys:1747180;   Wikipedia:Caprylic_acid
 cyclic_relationship: is_conjugate_acid_of CHEBI:25646


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19921
        role 19896
          biological role 19894
            antimicrobial agent 18062
              antibacterial agent 15159
                octanoic acid 3193
                  (+)-pentacycloanammoxic acid + 0
                  (3S,4S)-3-hydroxy-4-methyloctanoic acid + 0
                  (7R)-7-hydroxyoctanoic acid + 0
                  (R)-lipoic acid + 204
                  (S)-lipoic acid + 0
                  1,2-dioctanoyl-3-beta-D-galactosyl-sn-glycerol 0
                  1,3-dioctanoylglycerol 0
                  1-O-(alpha-D-galactopyranosyl)-N-octanoylphytosphingosine 0
                  1-octadecanoyl-2-octanoyl-sn-glycero-3-phosphocholine 0
                  2-(pentylsulfanyl)acetic acid + 0
                  2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid 0
                  2-hydroxyoctanoic acid + 0
                  2-octanoyl-sn-glycero-3-phosphocholine 0
                  2-oxooctanoic acid 0
                  3-aminooctanoic acid 0
                  3-hydroxyoctanoic acid + 0
                  3-methylbutyl octanoate 0
                  3-oxooctanoic acid + 0
                  4,7-dioxooctanoic acid 0
                  6-hydroxy-3,7-dimethyloctanoic acid + 0
                  8-(5-hexylfuran-2-yl)octanoic acid 0
                  8-\{3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl\}octanoic acid + 0
                  8-hydroxyoctanoic acid + 1
                  N-(octanoyl)-L-homoserine 0
                  N-(octanoyl)ethanolamine 0
                  N-capryloyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine 0
                  N-octanoyl-(2S)-hydroxyglycine 0
                  N-octanoylanthranilate 0
                  N-octanoylanthranilic acid 0
                  N-octanoyldihydrosphingosine 0
                  N-octanoylglycine 0
                  N-octanoylphytosphingosine 0
                  N-octanoylsphingosine 0
                  N-octanoylsphingosine 1-phosphate 0
                  S-octanoyl-4'-phosphopantetheine 0
                  S-octanoyl-L-cysteine 0
                  ciliatamide B 0
                  dihydrolipoic acid + 19
                  lipoic acid + 205
                  lipoyl group + 0
                  lipoyl-AMP + 0
                  methyl (+)-pentacycloanammoxate 0
                  octanamide 0
                  octanoate ester + 2
                  octanoyl group + 0
                  octanoyl-CoA + 0
                  octanoyloxidanyl 0
                  perfluorooctanoic acid 3107
                  pescaprein XXX 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19921
        subatomic particle 19919
          composite particle 19919
            hadron 19919
              baryon 19919
                nucleon 19919
                  atomic nucleus 19919
                    atom 19919
                      main group element atom 19867
                        p-block element atom 19867
                          carbon group element atom 19812
                            carbon atom 19807
                              organic molecular entity 19807
                                organic group 18971
                                  organic divalent group 18952
                                    organodiyl group 18952
                                      carbonyl group 18905
                                        carbonyl compound 18905
                                          carboxylic acid 18622
                                            monocarboxylic acid 17939
                                              fatty acid 16593
                                                saturated fatty acid 16277
                                                  straight-chain saturated fatty acid 15737
                                                    octanoic acid 3193
                                                      (+)-pentacycloanammoxic acid + 0
                                                      (3S,4S)-3-hydroxy-4-methyloctanoic acid + 0
                                                      (7R)-7-hydroxyoctanoic acid + 0
                                                      (R)-lipoic acid + 204
                                                      (S)-lipoic acid + 0
                                                      1,2-dioctanoyl-3-beta-D-galactosyl-sn-glycerol 0
                                                      1,3-dioctanoylglycerol 0
                                                      1-O-(alpha-D-galactopyranosyl)-N-octanoylphytosphingosine 0
                                                      1-octadecanoyl-2-octanoyl-sn-glycero-3-phosphocholine 0
                                                      2-(pentylsulfanyl)acetic acid + 0
                                                      2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid 0
                                                      2-hydroxyoctanoic acid + 0
                                                      2-octanoyl-sn-glycero-3-phosphocholine 0
                                                      2-oxooctanoic acid 0
                                                      3-aminooctanoic acid 0
                                                      3-hydroxyoctanoic acid + 0
                                                      3-methylbutyl octanoate 0
                                                      3-oxooctanoic acid + 0
                                                      4,7-dioxooctanoic acid 0
                                                      6-hydroxy-3,7-dimethyloctanoic acid + 0
                                                      8-(5-hexylfuran-2-yl)octanoic acid 0
                                                      8-\{3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl\}octanoic acid + 0
                                                      8-hydroxyoctanoic acid + 1
                                                      N-(octanoyl)-L-homoserine 0
                                                      N-(octanoyl)ethanolamine 0
                                                      N-capryloyl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine 0
                                                      N-octanoyl-(2S)-hydroxyglycine 0
                                                      N-octanoylanthranilate 0
                                                      N-octanoylanthranilic acid 0
                                                      N-octanoyldihydrosphingosine 0
                                                      N-octanoylglycine 0
                                                      N-octanoylphytosphingosine 0
                                                      N-octanoylsphingosine 0
                                                      N-octanoylsphingosine 1-phosphate 0
                                                      S-octanoyl-4'-phosphopantetheine 0
                                                      S-octanoyl-L-cysteine 0
                                                      ciliatamide B 0
                                                      dihydrolipoic acid + 19
                                                      lipoic acid + 205
                                                      lipoyl group + 0
                                                      lipoyl-AMP + 0
                                                      methyl (+)-pentacycloanammoxate 0
                                                      octanamide 0
                                                      octanoate ester + 2
                                                      octanoyl group + 0
                                                      octanoyl-CoA + 0
                                                      octanoyloxidanyl 0
                                                      perfluorooctanoic acid 3107
                                                      pescaprein XXX 0
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