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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:almotriptan malate
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Accession:CHEBI:53781 term browser browse the term
Definition:The malate salt of almotriptan.
Synonyms:related_synonym: 1-(((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)pyrrolidine hydroxybutanedioate;   1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine malate;   Formula=C17H25N3O2S.C4H6O5;   Formula=C21H31N3O7S;   InChI=1S/C17H25N3O2S.C4H6O5/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;5-2(4(8)9)1-3(6)7/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9);   InChIKey=QHATUKWEVNMHRY-UHFFFAOYSA-N;   SMILES=OC(CC(O)=O)C(O)=O.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
 xref: Beilstein:11352387;   CAS:181183-52-8;   DrugBank:DB00918;   KEGG:D02825


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Term Annotations click to browse term
  CHEBI ontology 22178
    role 22194
      application 21744
        anti-inflammatory agent 17331
          anti-inflammatory drug 15203
            non-steroidal anti-inflammatory drug 14432
              almotriptan malate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    main group molecular entity 22104
                      s-block molecular entity 21729
                        hydrogen molecular entity 21646
                          hydrides 20758
                            inorganic hydride 18672
                              pnictogen hydride 18652
                                nitrogen hydride 18519
                                  azane 18426
                                    ammonia 18425
                                      organic amino compound 18425
                                        tertiary amino compound 10293
                                          tertiary amine 637
                                            almotriptan 8
                                              almotriptan malate 0
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