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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 19883
    role 19833
      biological role 19833
        biochemical role 19370
          metabolite 19350
            alkaloid 5376
              indole alkaloid 1848
                terpenoid indole alkaloid 1467
                  hemiterpenoid indole alkaloid 25
                    ergot alkaloid 25
                      peptide ergot alkaloid 5
                        LSM-5805 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      p-block molecular entity 19771
                        carbon group molecular entity 19679
                          organic molecular entity 19668
                            organic group 18580
                              cyclic organic group 1848
                                organic heterobicyclic ring 1848
                                  indole skeleton 1848
                                    indole alkaloid 1848
                                      terpenoid indole alkaloid 1467
                                        hemiterpenoid indole alkaloid 25
                                          ergot alkaloid 25
                                            peptide ergot alkaloid 5
                                              LSM-5805 0
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