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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:chanoclavine-I
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Accession:CHEBI:3576 term browser browse the term
Definition:An organic tricyclic compound that is 1,3,4,5-tetrahydrobenzo[cd]indole which is substituted at position 4 by a methylamino group and at position 5 by a 3-hydroxy-2-methylprop-1-en-1-yl group (the 4R,5R,E diastereoisomer). It is a precursor of the tetracyclic ergolines agroclavine, elymoclavine and lysergic acid amide.
Synonyms:exact_synonym: (2E)-2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol
 related_synonym: Formula=C16H20N2O;   InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15-/m1/s1;   InChIKey=SAHHMCVYMGARBT-HEESEWQSSA-N;   SMILES=CN[C@@H]1Cc2c[nH]c3cccc([C@H]1\\C=C(/C)CO)c23;   chanoclavin-I;   chanoclavine
 xref: CAS:2390-99-0;   KEGG:C09131;   KNApSAcK:C00001707;   MetaCyc:CPD-12356;   PMID:20039019;   PMID:20102147;   PMID:20118373;   PMID:20435769;   PMID:447932;   PMID:5588727;   Reaxys:28050
 cyclic_relationship: is_conjugate_base_of CHEBI:72949



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Term Annotations click to browse term
  CHEBI ontology 19812
    role 19763
      application 19477
        refrigerant 17699
          ammonia 17288
            organic amino compound 17288
              secondary amino compound 6591
                chanoclavine-I 0
                  chanoclavine-I aldehyde 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19710
                    p-block element atom 19710
                      carbon group element atom 19631
                        carbon atom 19621
                          organic molecular entity 19621
                            organic group 18730
                              cyclic organic group 1856
                                organic heterobicyclic ring 1856
                                  indole skeleton 1856
                                    indole alkaloid 1856
                                      terpenoid indole alkaloid 1475
                                        hemiterpenoid indole alkaloid 27
                                          ergot alkaloid 27
                                            chanoclavine-I 0
                                              chanoclavine-I aldehyde 0
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