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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:ascr#7-CoA
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Accession:CHEBI:139711 term browser browse the term
Definition:An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of ascr#7.
Synonyms:related_synonym: Formula=C34H56N7O21P3S;   InChI=1S/C34H56N7O21P3S/c1-18(58-33-21(43)13-20(42)19(2)59-33)7-5-6-8-24(45)66-12-11-36-23(44)9-10-37-31(48)28(47)34(3,4)15-57-65(54,55)62-64(52,53)56-14-22-27(61-63(49,50)51)26(46)32(60-22)41-17-40-25-29(35)38-16-39-30(25)41/h6,8,16-22,26-28,32-33,42-43,46-47H,5,7,9-15H2,1-4H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/b8-6+/t18-,19+,20-,21-,22-,26-,27-,28+,32-,33-/m1/s1;   InChIKey=SESCPHWMUINXHL-JHOQZYNTSA-N;   SMILES=C[C@H](CC\\C=C\\C(=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)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
 cyclic_relationship: is_conjugate_acid_of CHEBI:139712


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      chemical role 19442
        donor 18891
          acyl donor 29
            acyl-CoA 29
              ascr#7-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      chalcogen 19534
                        oxygen atom 19509
                          oxygen molecular entity 19509
                            hydroxides 19320
                              oxoacid 18744
                                pnictogen oxoacid 13224
                                  phosphorus oxoacid 12429
                                    phosphoric acids 11430
                                      phosphoric acid 11430
                                        phosphoric acid derivative 11239
                                          phosphate 11238
                                            organic phosphate 11238
                                              carbohydrate phosphate 1856
                                                phospho sugar 1701
                                                  aldose phosphate 1698
                                                    aldopentose phosphate 1690
                                                      ribose phosphate 1685
                                                        ribonucleotide 1646
                                                          purine ribonucleotide 1613
                                                            adenyl ribonucleotide 1305
                                                              adenosine phosphate 296
                                                                adenosine 5'-phosphate 295
                                                                  ADP 88
                                                                    coenzyme A 29
                                                                      acyl-CoA 29
                                                                        ascr#7-CoA 0
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