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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straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group.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 19911
        role 19854
          biological role 19852
            antimicrobial agent 18266
              antibacterial agent 16351
                octanoic acid 4918
                  (+)-pentacycloanammoxic acid + 0
                  (3S,4S)-3-hydroxy-4-methyloctanoic acid + 0
                  (7R)-7-hydroxyoctanoic acid + 0
                  (R)-lipoic acid + 215
                  (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 + 216
                  lipoyl group + 0
                  lipoyl-AMP + 0
                  methyl (+)-pentacycloanammoxate 0
                  octanamide 0
                  octanoate ester + 2
                  octanoyl group + 0
                  octanoyl-CoA + 0
                  octanoyloxidanyl 0
                  perfluorooctanoic acid 4851
                  pescaprein XXX 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19911
        subatomic particle 19909
          composite particle 19909
            hadron 19880
              baryon 19880
                nucleon 19909
                  atomic nucleus 19880
                    atom 19909
                      main group element atom 19849
                        p-block element atom 19849
                          carbon group element atom 19766
                            carbon atom 19785
                              organic molecular entity 19785
                                heteroorganic entity 19541
                                  organochalcogen compound 19301
                                    organooxygen compound 19193
                                      carbon oxoacid 18681
                                        carboxylic acid 18678
                                          monocarboxylic acid 18024
                                            fatty acid 16829
                                              saturated fatty acid 16568
                                                straight-chain saturated fatty acid 16084
                                                  octanoic acid 4918
                                                    (+)-pentacycloanammoxic acid + 0
                                                    (3S,4S)-3-hydroxy-4-methyloctanoic acid + 0
                                                    (7R)-7-hydroxyoctanoic acid + 0
                                                    (R)-lipoic acid + 215
                                                    (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 + 216
                                                    lipoyl group + 0
                                                    lipoyl-AMP + 0
                                                    methyl (+)-pentacycloanammoxate 0
                                                    octanamide 0
                                                    octanoate ester + 2
                                                    octanoyl group + 0
                                                    octanoyl-CoA + 0
                                                    octanoyloxidanyl 0
                                                    perfluorooctanoic acid 4851
                                                    pescaprein XXX 0
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