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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)-ethylmalonyl-CoA
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Accession:CHEBI:85803 term browser browse the term
Definition:An omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of (R)-ethylmalonic acid.
Synonyms:exact_synonym: 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2R)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
 related_synonym: (2R)-ethylmalonyl-CoA;   (2R)-ethylmalonyl-coenzyme A;   (R)-ethylmalonyl-coenzyme A;   Formula=C26H42N7O19P3S;   InChI=1S/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14-,17-,18-,19+,23-/m1/s1;   InChIKey=VUGZQVCBBBEZQE-XGVFZYDCSA-N;   SMILES=CC[C@H](C(O)=O)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)n1cnc2c(N)ncnc12
 xref: Reaxys:22539666
 cyclic_relationship: is_conjugate_acid_of CHEBI:85316


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  CHEBI ontology 19783
    role 19728
      chemical role 19268
        donor 18464
          acyl donor 28
            acyl-CoA 28
              omega-carboxyacyl-CoA 2
                (R)-ethylmalonyl-CoA 0
Path 2
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  CHEBI ontology 19783
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      chalcogen 19399
                        oxygen atom 19362
                          oxygen molecular entity 19362
                            hydroxides 19085
                              oxoacid 18282
                                pnictogen oxoacid 10309
                                  phosphorus oxoacid 9231
                                    phosphoric acids 7952
                                      phosphoric acid 7952
                                        phosphoric acid derivative 7633
                                          phosphate 7633
                                            organic phosphate 7632
                                              carbohydrate phosphate 1714
                                                phospho sugar 1639
                                                  aldose phosphate 1637
                                                    aldopentose phosphate 1631
                                                      ribose phosphate 1626
                                                        ribonucleotide 1587
                                                          purine ribonucleotide 1559
                                                            adenyl ribonucleotide 1260
                                                              adenosine phosphate 266
                                                                adenosine 5'-phosphate 265
                                                                  ADP 87
                                                                    coenzyme A 28
                                                                      acyl-CoA 28
                                                                        omega-carboxyacyl-CoA 2
                                                                          (R)-ethylmalonyl-CoA 0
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