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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-6455
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Accession:CHEBI:95175 term browser browse the term
Definition:A peptide ergot alkaloid that has formula C32H41N5O5.
Synonyms:related_synonym: Formula=C32H41N5O5;   InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24?,25+,26?,31-,32+/m1/s1;   InChIKey=YDOTUXAWKBPQJW-ISVRSENOSA-N;   SMILES=CC(C)C[C@H]1C(=O)N2CCCC2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
 xref: LINCS:LSM-6455


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Term Annotations click to browse term
  CHEBI ontology 494
    role 501
      biological role 494
        biochemical role 454
          metabolite 445
            alkaloid 14
              indole alkaloid 6
                terpenoid indole alkaloid 4
                  hemiterpenoid indole alkaloid 0
                    ergot alkaloid 0
                      peptide ergot alkaloid 0
                        LSM-6455 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            heteroorganic entity 471
                              organonitrogen compound 404
                                alkaloid 14
                                  indole alkaloid 6
                                    terpenoid indole alkaloid 4
                                      hemiterpenoid indole alkaloid 0
                                        ergot alkaloid 0
                                          peptide ergot alkaloid 0
                                            LSM-6455 0
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