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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:LSM-5805
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Accession:CHEBI:94726 term browser browse the term
Definition:A peptide ergot alkaloid that has formula C32H40BrN5O5.
Synonyms:related_synonym: Formula=C32H40BrN5O5;   InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23+,24+,25-,31-,32+/m1/s1;   InChIKey=OZVBMTJYIDMWIL-JVOFPJAOSA-N;   SMILES=CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O
 xref: LINCS:LSM-5805


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  CHEBI ontology 226
    role 226
      biological role 226
        biochemical role 187
          metabolite 180
            alkaloid 14
              indole alkaloid 6
                terpenoid indole alkaloid 4
                  hemiterpenoid indole alkaloid 0
                    ergot alkaloid 0
                      peptide ergot alkaloid 0
                        LSM-5805 0
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  CHEBI ontology 226
    subatomic particle 226
      composite particle 226
        hadron 226
          baryon 226
            nucleon 226
              atomic nucleus 226
                atom 226
                  main group element atom 219
                    p-block element atom 219
                      p-block molecular entity 219
                        carbon group molecular entity 208
                          organic molecular entity 207
                            organic group 155
                              cyclic organic group 6
                                organic heterobicyclic ring 6
                                  indole skeleton 6
                                    indole alkaloid 6
                                      terpenoid indole alkaloid 4
                                        hemiterpenoid indole alkaloid 0
                                          ergot alkaloid 0
                                            peptide ergot alkaloid 0
                                              LSM-5805 0
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