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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:methotrexate disodium
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Accession:CHEBI:50679 term browser browse the term
Definition:An organic sodium salt that is the disodium salt of methotrexate.
Synonyms:exact_synonym: disodium (2S)-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)pentanedioate
 related_synonym: Emtexate;   Formula=C20H20N8Na2O5;   Formula=C20H20N8O5.2Na;   InChI=1S/C20H22N8O5.2Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);;/q;2*+1/p-2/t13-;;/m0../s1;   InChIKey=DASQOOZCTWOQPA-GXKRWWSZSA-L;   Ledertrexate;   Rheumatrex;   SMILES=[Na+].[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O;   methotrexate sodium
 xref: Beilstein:6045736;   DrugBank:DB00563


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Term Annotations click to browse term
  CHEBI ontology 19899
    role 19869
      biological role 19867
        biochemical role 19574
          antimetabolite 10331
            antifolate 4113
              EC 1.5.1.3 (dihydrofolate reductase) inhibitor 4113
                methotrexate disodium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            organic ion 11455
                              organic anion 6858
                                carboxylic acid anion 2500
                                  dicarboxylic acid anion 253
                                    dicarboxylic acid dianion 253
                                      methotrexate(2-) 0
                                        methotrexate disodium 0
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