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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straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group.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 22194
        role 22179
          biological role 22178
            antimicrobial agent 19567
              antibacterial agent 16156
                octanoic acid 3365
                  (+)-pentacycloanammoxic acid + 0
                  (3S,4S)-3-hydroxy-4-methyloctanoic acid + 0
                  (7R)-7-hydroxyoctanoic acid + 0
                  (R)-lipoic acid + 217
                  (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 + 218
                  lipoyl group + 0
                  lipoyl-AMP + 0
                  methyl (+)-pentacycloanammoxate 0
                  octanamide 0
                  octanoate ester + 3
                  octanoyl group + 0
                  octanoyl-CoA + 0
                  octanoyloxidanyl 0
                  perfluorooctanoic acid 3276
                  pescaprein XXX 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 22194
        subatomic particle 22186
          composite particle 22186
            hadron 22186
              baryon 22186
                nucleon 22186
                  atomic nucleus 22186
                    atom 22186
                      main group element atom 22120
                        p-block element atom 22120
                          carbon group element atom 21920
                            carbon atom 21846
                              organic molecular entity 21846
                                heteroorganic entity 21500
                                  organochalcogen compound 20983
                                    organooxygen compound 20824
                                      carbon oxoacid 19606
                                        carboxylic acid 19602
                                          monocarboxylic acid 18969
                                            fatty acid 17131
                                              saturated fatty acid 16850
                                                straight-chain saturated fatty acid 16274
                                                  octanoic acid 3365
                                                    (+)-pentacycloanammoxic acid + 0
                                                    (3S,4S)-3-hydroxy-4-methyloctanoic acid + 0
                                                    (7R)-7-hydroxyoctanoic acid + 0
                                                    (R)-lipoic acid + 217
                                                    (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 + 218
                                                    lipoyl group + 0
                                                    lipoyl-AMP + 0
                                                    methyl (+)-pentacycloanammoxate 0
                                                    octanamide 0
                                                    octanoate ester + 3
                                                    octanoyl group + 0
                                                    octanoyl-CoA + 0
                                                    octanoyloxidanyl 0
                                                    perfluorooctanoic acid 3276
                                                    pescaprein XXX 0
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