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ONTOLOGY REPORT - ANNOTATIONS


Term:pemetrexed disodium
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Accession:CHEBI:63722 term browser browse the term
Definition:An organic sodium salt that is the disodium salt of N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT).
Synonyms:exact_synonym: disodium N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate
 related_synonym: Formula=C20H19N5Na2O6;   InChI=1S/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m0../s1;   InChIKey=NYDXNILOWQXUOF-GXKRWWSZSA-L;   SMILES=[Na+].[Na+].Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)c[nH]c2[nH]1;   disodium (2S)-2-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pentanedioate
 xref: CAS:150399-23-8;   DrugBank:DB00642;   KEGG:D03828;   PMID:19137122;   PMID:20209614;   Patent:CN101411710;   Patent:CN101560206;   Patent:EP2301909;   Patent:EP2334685;   Patent:US2009181990;   Patent:US2011124861;   Patent:US2011196154;   Patent:WO2010028105;   Patent:WO2011019986;   Patent:WO2011064256;   Reaxys:8964395


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Term Annotations click to browse term
  CHEBI ontology 19770
    role 19717
      biological role 19716
        biochemical role 19225
          antimetabolite 8495
            pemetrexed disodium 0
              pemetrexed disodium heptahydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19548
                        carbon atom 19537
                          organic molecular entity 19537
                            organic ion 8300
                              organic anion 3005
                                carboxylic acid anion 2381
                                  amino-acid anion 821
                                    alpha-amino-acid anion 815
                                      L-alpha-amino acid anion 0
                                        N-acyl-L-alpha-amino acid anion 0
                                          pemetrexed(2-) 0
                                            pemetrexed disodium 0
                                              pemetrexed disodium heptahydrate 0
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