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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:Methylergonovine Maleate
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Accession:CHEBI:6874 term browser browse the term
Synonyms:related_synonym: Formula=C20H25N3O2;   Formula=C20H25N3O2.C4H4O4;   Formula=C24H29N3O6;   InChI=1S/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,18-;/m1./s1;   InChIKey=NOFOWWRHEPHDCY-DAUURJMHSA-N;   Methylergometrine maleate;   SMILES=C1=2C=3C=4[C@](N(C[C@@H](C4)C(N[C@@H](CC)CO)=O)C)(CC1=CNC2C=CC3)[H].C(/C=C\\C(O)=O)(O)=O
 xref: CAS:113-42-8;   CAS:57432-61-8;   KEGG:C07800;   KEGG:D00680
 xref_mesh: MESH:D008755
 xref: PMID:24134630



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Methylergonovine Maleate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Htr2b 5-hydroxytryptamine receptor 2B multiple interactions ISO Methylergonovine binds to and results in increased activity of HTR2B protein CTD PMID:11104741 NCBI chr 9:86,735,793...86,756,640
Ensembl chr 9:86,742,102...86,755,108
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20072
    role 20026
      biological role 20025
        biochemical role 19665
          metabolite 19648
            alkaloid 5725
              ergoline alkaloid 21
                Methylergonovine Maleate 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20072
    subatomic particle 20071
      composite particle 20071
        hadron 20071
          baryon 20071
            nucleon 20071
              atomic nucleus 20071
                atom 20071
                  main group element atom 19974
                    main group molecular entity 19974
                      p-block molecular entity 19974
                        carbon group molecular entity 19903
                          organic molecular entity 19896
                            heteroorganic entity 19607
                              organonitrogen compound 18842
                                alkaloid 5725
                                  ergoline alkaloid 21
                                    Methylergonovine Maleate 1
paths to the root