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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:(R)-3-hydroxyoctanoyl-CoA
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Accession:CHEBI:28573 term browser browse the term
Definition:An (R)-3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxyoctanoic acid.
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyoctanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
 related_synonym: (R)-3-Hydroxycapryloyl-CoA;   (R)-3-hydroxycapryloyl-coenzyme A;   (R)-3-hydroxyoctanoyl-coenzyme A;   Formula=C29H50N7O18P3S;   InChI=1S/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,18-,22-,23-,24+,28-/m1/s1;   InChIKey=ATVGTMKWKDUCMS-JWBYWSJJSA-N;   SMILES=CCCCC[C@@H](O)CC(=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)n1cnc2c(N)ncnc12
 alt_id: CHEBI:18668;   CHEBI:324
 xref: KEGG:C05278;   PMID:10781572
 cyclic_relationship: is_conjugate_acid_of CHEBI:74279


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  CHEBI ontology 860
    role 838
      biological role 838
        antimicrobial agent 213
          antibacterial agent 52
            octanoic acid 1
              octanoyl-CoA 0
                (R)-3-hydroxyoctanoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 860
    subatomic particle 845
      composite particle 845
        hadron 845
          baryon 845
            nucleon 845
              atomic nucleus 845
                atom 845
                  main group element atom 834
                    p-block element atom 831
                      chalcogen 797
                        oxygen atom 744
                          oxygen molecular entity 744
                            hydroxides 671
                              oxoacid 301
                                pnictogen oxoacid 38
                                  phosphorus oxoacid 35
                                    phosphoric acids 35
                                      phosphoric acid 35
                                        phosphoric acid derivative 35
                                          phosphate 35
                                            organic phosphate 35
                                              carbohydrate phosphate 26
                                                phospho sugar 14
                                                  aldose phosphate 14
                                                    aldopentose phosphate 14
                                                      ribose phosphate 14
                                                        ribonucleotide 14
                                                          purine ribonucleotide 14
                                                            adenyl ribonucleotide 11
                                                              adenosine phosphate 5
                                                                adenosine 5'-phosphate 5
                                                                  ADP 0
                                                                    coenzyme A 0
                                                                      acyl-CoA 0
                                                                        hydroxyacyl-CoA 0
                                                                          3-hydroxyacyl-CoA 0
                                                                            (R)-3-hydroxyacyl-CoA 0
                                                                              (R)-3-hydroxyoctanoyl-CoA 0
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