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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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    Path 1
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      CHEBI ontology 19876
        role 19851
          biological role 19849
            biochemical role 19543
              antimetabolite 10256
                methotrexate 2397
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19876
        subatomic particle 19874
          composite particle 19874
            hadron 19874
              baryon 19874
                nucleon 19874
                  atomic nucleus 19905
                    atom 19905
                      main group element atom 19821
                        p-block element atom 19821
                          carbon group element atom 19768
                            carbon atom 19764
                              organic molecular entity 19764
                                organic group 18962
                                  organic divalent group 18943
                                    organodiyl group 18915
                                      carbonyl group 18869
                                        carbonyl compound 18869
                                          carboxylic acid 18618
                                            amino acid 15637
                                              alpha-amino acid 13835
                                                L-alpha-amino acid 12824
                                                  glutamine family amino acid 10302
                                                    L-glutamic acid 10244
                                                      methotrexate 2397
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