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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:(S)-2-benzoylsuccinyl-CoA
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Accession:CHEBI:28882 term browser browse the term
Definition:An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-2-benzoylsuccinic acid.
Synonyms:exact_synonym: (9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-20-benzoyl-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide
 related_synonym: 2-Benzoylsuccinyl-CoA;   2-benzoylsuccinoyl-CoA;   2-benzoylsuccinoyl-coenzyme A;   2-benzoylsuccinyl-coenzyme A;   Benzoylsuccinyl-CoA;   Formula=C32H44N7O20P3S;   InChI=1S/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,24-26,30,44-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t18-,19+,24+,25+,26-,30+/m0/s1;   InChIKey=SGNPJINSCKFITG-BBJTXHABSA-N;   SMILES=CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(O)=O)C(=O)C1=CC=CC=C1
 alt_id: CHEBI:22734;   CHEBI:3042
 xref: KEGG:C09820;   PMID:10589736;   PMID:11418570;   PMID:34601806
 cyclic_relationship: is_conjugate_acid_of CHEBI:189060


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Term Annotations click to browse term
  CHEBI ontology 19893
    role 19863
      chemical role 19493
        donor 18941
          acyl donor 29
            acyl-CoA 29
              (S)-2-benzoylsuccinyl-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      chalcogen 19581
                        oxygen atom 19553
                          oxygen molecular entity 19553
                            hydroxides 19358
                              oxoacid 18794
                                pnictogen oxoacid 14989
                                  phosphorus oxoacid 14588
                                    phosphoric acids 13933
                                      phosphoric acid 13933
                                        phosphoric acid derivative 13843
                                          phosphate 13842
                                            organic phosphate 13842
                                              carbohydrate phosphate 1966
                                                phospho sugar 1811
                                                  aldose phosphate 1808
                                                    aldopentose phosphate 1800
                                                      ribose phosphate 1795
                                                        ribonucleotide 1757
                                                          purine ribonucleotide 1714
                                                            adenyl ribonucleotide 1308
                                                              adenosine phosphate 297
                                                                adenosine 5'-phosphate 296
                                                                  ADP 90
                                                                    3'-phosphate-adenosine-5'-diphosphate 29
                                                                      coenzyme A 29
                                                                        acyl-CoA 29
                                                                          (S)-2-benzoylsuccinyl-CoA 0
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