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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 880
    role 860
      biological role 860
        biochemical role 729
          metabolite 717
            alkaloid 46
              indole alkaloid 15
                terpenoid indole alkaloid 2
                  hemiterpenoid indole alkaloid 1
                    ergot alkaloid 1
                      peptide ergot alkaloid 0
                        LSM-5805 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 880
    subatomic particle 865
      composite particle 865
        hadron 865
          baryon 865
            nucleon 865
              atomic nucleus 865
                atom 865
                  main group element atom 855
                    p-block element atom 852
                      p-block molecular entity 851
                        carbon group molecular entity 828
                          organic molecular entity 827
                            organic group 392
                              cyclic organic group 15
                                organic heterobicyclic ring 15
                                  indole skeleton 15
                                    indole alkaloid 15
                                      terpenoid indole alkaloid 2
                                        hemiterpenoid indole alkaloid 1
                                          ergot alkaloid 1
                                            peptide ergot alkaloid 0
                                              LSM-5805 0
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