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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-1817
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Accession:CHEBI:91882 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-NXIPCUEUSA-N;   SMILES=CC(C)CC1C(=O)N2CCC[C@H]2C3(N1C(=O)[C@](O3)(C(C)C)NC(=O)C4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O
 xref: LINCS:LSM-1817


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19840
    role 19790
      biological role 19790
        biochemical role 19328
          metabolite 19309
            alkaloid 5365
              indole alkaloid 1845
                terpenoid indole alkaloid 1466
                  hemiterpenoid indole alkaloid 26
                    ergot alkaloid 26
                      peptide ergot alkaloid 5
                        LSM-1817 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19840
    subatomic particle 19838
      composite particle 19838
        hadron 19838
          baryon 19838
            nucleon 19838
              atomic nucleus 19838
                atom 19838
                  main group element atom 19730
                    p-block element atom 19730
                      p-block molecular entity 19730
                        carbon group molecular entity 19635
                          organic molecular entity 19624
                            organic group 18537
                              cyclic organic group 1845
                                organic heterobicyclic ring 1845
                                  indole skeleton 1845
                                    indole alkaloid 1845
                                      terpenoid indole alkaloid 1466
                                        hemiterpenoid indole alkaloid 26
                                          ergot alkaloid 26
                                            peptide ergot alkaloid 5
                                              LSM-1817 0
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