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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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Term Annotations click to browse term
  CHEBI ontology 21552
    role 21530
      biological role 21528
        biochemical role 20696
          metabolite 20647
            alkaloid 5432
              indole alkaloid 1868
                terpenoid indole alkaloid 1485
                  hemiterpenoid indole alkaloid 28
                    ergot alkaloid 28
                      peptide ergot alkaloid 5
                        LSM-5805 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21552
    subatomic particle 21537
      composite particle 21537
        hadron 21537
          baryon 21537
            nucleon 21537
              atomic nucleus 21537
                atom 21537
                  main group element atom 21442
                    p-block element atom 21442
                      p-block molecular entity 21441
                        carbon group molecular entity 21235
                          organic molecular entity 21133
                            organic group 19572
                              cyclic organic group 1868
                                organic heterobicyclic ring 1868
                                  indole skeleton 1868
                                    indole alkaloid 1868
                                      terpenoid indole alkaloid 1485
                                        hemiterpenoid indole alkaloid 28
                                          ergot alkaloid 28
                                            peptide ergot alkaloid 5
                                              LSM-5805 0
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