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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:octanoyl-CoA
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Accession:CHEBI:15533 term browser browse the term
Definition:A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of octanoic acid.
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
 related_synonym: 8:0-CoA;   C8:0-CoA;   Coenzyme A, S-octanoate;   Formula=C29H50N7O17P3S;   InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1;   InChIKey=KQMZYOXOBSXMII-CECATXLMSA-N;   Octanoyl-coenzyme A;   SMILES=CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N;   capryloyl-CoA;   capryloyl-coenzyme A;   n-octanoyl-CoA;   octanoylcoenzyme A;   octylyl-CoA;   octylyl-coenzyme A
 alt_id: CHEBI:14681;   CHEBI:25651;   CHEBI:41542;   CHEBI:7724
 xref: Beilstein:6562085;   CAS:1264-52-4;   Chemspider:393007;   DrugBank:DB02910;   FooDB:FDB022409;   HMDB:HMDB0001070;   KEGG:C01944;   PDBeChem:CO8;   PMID:11411544;   PMID:15351645;   PMID:19501572;   PMID:25095906;   PMID:26527136;   PMID:2895026;   PMID:30573650;   PMID:30599088;   PMID:31304053;   PMID:31511507;   PMID:33064909;   PMID:33436600;   PMID:4304157;   PMID:4722901;   PMID:6048700;   PMID:7092822;   PMID:729581;   PMID:8038175;   PMID:8356049;   PMID:8470910;   PMID:8823176;   PMID:9480773;   PMID:9514714;   Reaxys:8033230;   UM-BBD_compID:c0048;   Wikipedia:Octanoyl-CoA
 cyclic_relationship: is_conjugate_acid_of CHEBI:57386

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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        antimicrobial agent 0
          antibacterial agent 0
            octanoic acid 0
              octanoyl-CoA 0
                (R)-3-hydroxyoctanoyl-CoA 0
                (S)-3-hydroxyoctanoyl-CoA 0
                3-oxooctanoyl-CoA 0
                3-thiaoctanoyl-CoA 0
                7-methyl-3-oxooctanoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                pnictogen oxoacid 0
                                  phosphorus oxoacid 0
                                    phosphoric acids 0
                                      phosphoric acid 0
                                        phosphoric acid derivative 0
                                          phosphate 0
                                            organic phosphate 0
                                              carbohydrate phosphate 0
                                                phospho sugar 0
                                                  aldose phosphate 0
                                                    aldopentose phosphate 0
                                                      ribose phosphate 0
                                                        ribonucleotide 0
                                                          purine ribonucleotide 0
                                                            adenyl ribonucleotide 0
                                                              adenosine phosphate 0
                                                                adenosine 5'-phosphate 0
                                                                  ADP 0
                                                                    coenzyme A 0
                                                                      acyl-CoA 0
                                                                        fatty acyl-CoA 0
                                                                          medium-chain fatty acyl-CoA 0
                                                                            octanoyl-CoA 0
                                                                              (R)-3-hydroxyoctanoyl-CoA 0
                                                                              (S)-3-hydroxyoctanoyl-CoA 0
                                                                              3-oxooctanoyl-CoA 0
                                                                              3-thiaoctanoyl-CoA 0
                                                                              7-methyl-3-oxooctanoyl-CoA 0
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