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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 24358
    role 24265
      biological role 24232
        antimicrobial agent 20494
          antibacterial agent 14632
            octanoic acid 2265
              octanoyl-CoA 0
                (R)-3-hydroxyoctanoyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24358
    subatomic particle 24314
      composite particle 24314
        hadron 24314
          baryon 24314
            nucleon 24314
              atomic nucleus 24314
                atom 24314
                  main group element atom 24159
                    p-block element atom 24159
                      chalcogen 23180
                        oxygen atom 23052
                          oxygen molecular entity 23052
                            hydroxides 22290
                              oxoacid 21428
                                pnictogen oxoacid 10661
                                  phosphorus oxoacid 9409
                                    phosphoric acids 8172
                                      phosphoric acid 8172
                                        phosphoric acid derivative 7837
                                          phosphate 7837
                                            organic phosphate 7836
                                              carbohydrate phosphate 1567
                                                phospho sugar 1493
                                                  aldose phosphate 1491
                                                    aldopentose phosphate 1485
                                                      ribose phosphate 1479
                                                        ribonucleotide 1440
                                                          purine ribonucleotide 1413
                                                            adenyl ribonucleotide 1283
                                                              adenosine phosphate 255
                                                                adenosine 5'-phosphate 254
                                                                  ADP 84
                                                                    coenzyme A 29
                                                                      acyl-CoA 29
                                                                        hydroxyacyl-CoA 0
                                                                          3-hydroxyacyl-CoA 0
                                                                            (R)-3-hydroxyacyl-CoA 0
                                                                              (R)-3-hydroxyoctanoyl-CoA 0
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