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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
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
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
                                                                        hydroxyacyl-CoA 0
                                                                          3-hydroxyacyl-CoA 0
                                                                            (R)-3-hydroxyacyl-CoA 0
                                                                              (R)-3-hydroxyoctanoyl-CoA 0
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