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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 19787
    role 19734
      biological role 19734
        biochemical role 19282
          antimetabolite 8485
            methotrexate 2367
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        amino acid 14072
                                          alpha-amino acid 11539
                                            L-alpha-amino acid 11374
                                              glutamine family amino acid 10243
                                                L-glutamic acid 10190
                                                  methotrexate 2367
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