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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
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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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  • Term paths to the root
    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19911
        role 19854
          biological role 19852
            biochemical role 19582
              antimetabolite 10304
                methotrexate 2413
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19911
        subatomic particle 19909
          composite particle 19909
            hadron 19880
              baryon 19880
                nucleon 19909
                  atomic nucleus 19880
                    atom 19909
                      main group element atom 19849
                        main group molecular entity 19849
                          s-block molecular entity 19681
                            hydrogen molecular entity 19662
                              hydrides 19167
                                inorganic hydride 18182
                                  pnictogen hydride 18172
                                    nitrogen hydride 18085
                                      azane 17866
                                        ammonia 17865
                                          organic amino compound 17888
                                            amino acid 16071
                                              alpha-amino acid 13929
                                                L-alpha-amino acid 12971
                                                  glutamine family amino acid 10316
                                                    L-glutamic acid 10255
                                                      methotrexate 2413
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