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ONTOLOGY REPORT - ANNOTATIONS


Term:methotrexate
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Accession:CHEBI:44185 term browser browse the term
Definition:A pteridine that has formula C20H22N8O5.
Synonyms:exact_synonym: N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid
 related_synonym: 4-amino-10-methylfolic acid;   4-amino-N(10)-methylpteroylglutamic acid;   Emtexate;   Formula=C20H22N8O5;   InChI=1S/C20H22N8O5/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)/t13-/m0/s1;   InChIKey=FBOZXECLQNJBKD-ZDUSSCGKSA-N;   Ledertrexate;   MTX;   N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid;   Rheumatrex;   SMILES=CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O;   Trexall;   methotrexatum;   metotrexato
 alt_id: CHEBI:44183;   CHEBI:6837
 xref: Beilstein:70669;   CAS:59-05-2;   DrugBank:DB00563;   Drug_Central:1751;   KEGG:C01937;   KEGG:D00142;   LINCS:LSM-5690
 xref_mesh: MESH:D008727
 xref: PDBeChem:MTX;   Patent:US2512572;   Wikipedia:Methotrexate
 cyclic_relationship: is_conjugate_acid_of CHEBI:50680


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Path 1
Term Annotations click to browse term
  CHEBI ontology 24146
    role 24039
      biological role 24005
        biochemical role 23267
          antimetabolite 8788
            methotrexate 2505
Path 2
Term Annotations click to browse term
  CHEBI ontology 24146
    subatomic particle 24100
      composite particle 24100
        hadron 24100
          baryon 24100
            nucleon 24100
              atomic nucleus 24100
                atom 24100
                  main group element atom 23929
                    p-block element atom 23929
                      carbon group element atom 23662
                        carbon atom 23618
                          organic molecular entity 23618
                            organic group 22089
                              organic divalent group 22063
                                organodiyl group 22063
                                  carbonyl group 22038
                                    carbonyl compound 22038
                                      carboxylic acid 21061
                                        amino acid 13089
                                          alpha-amino acid 7941
                                            L-alpha-amino acid 7597
                                              glutamine family amino acid 5536
                                                L-glutamic acid 5431
                                                  methotrexate 2505
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