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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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Path 1
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  CHEBI ontology 221
    role 221
      biological role 221
        antimicrobial agent 105
          antibacterial agent 22
            octanoic acid 0
              octanoyl-CoA 0
                (R)-3-hydroxyoctanoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 221
    subatomic particle 221
      composite particle 221
        hadron 221
          baryon 221
            nucleon 221
              atomic nucleus 221
                atom 221
                  main group element atom 214
                    p-block element atom 214
                      chalcogen 183
                        oxygen atom 181
                          oxygen molecular entity 181
                            hydroxides 154
                              oxoacid 122
                                pnictogen oxoacid 14
                                  phosphorus oxoacid 9
                                    phosphoric acids 9
                                      phosphoric acid 9
                                        phosphoric acid derivative 8
                                          phosphate 8
                                            organic phosphate 8
                                              carbohydrate phosphate 3
                                                phospho sugar 3
                                                  aldose phosphate 3
                                                    aldopentose phosphate 3
                                                      ribose phosphate 3
                                                        ribonucleotide 3
                                                          purine ribonucleotide 2
                                                            adenyl ribonucleotide 2
                                                              adenosine phosphate 0
                                                                adenosine 5'-phosphate 0
                                                                  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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