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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#29-CoA
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Accession:CHEBI:139675 term browser browse the term
Definition:CoA ester of ascr#29
Synonyms:related_synonym: Formula=C44H76N7O21P3S;   InChI=1S/C44H76N7O21P3S/c1-28(68-43-31(53)23-30(52)29(2)69-43)17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(55)76-22-21-46-33(54)19-20-47-41(58)38(57)44(3,4)25-67-75(64,65)72-74(62,63)66-24-32-37(71-73(59,60)61)36(56)42(70-32)51-27-50-35-39(45)48-26-49-40(35)51/h16,18,26-32,36-38,42-43,52-53,56-57H,5-15,17,19-25H2,1-4H3,(H,46,54)(H,47,58)(H,62,63)(H,64,65)(H2,45,48,49)(H2,59,60,61)/b18-16+/t28-,29+,30-,31-,32-,36-,37-,38+,42-,43-/m1/s1;   InChIKey=ACNHBEAUYZKWJY-OFUCUYLESA-N;   SMILES=C[C@H](CCCCCCCCCCCC/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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26041
    chemical entity 26020
      atom 26016
        nonmetal atom 25505
          carbon atom 25399
            organic molecular entity 25399
              ascr#29-CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            ascr#29-CoA 0
paths to the root