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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: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 19898
    role 19868
      biological role 19866
        biochemical role 19571
          antimetabolite 10302
            pemetrexed disodium 0
              pemetrexed disodium heptahydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            organic ion 11451
                              organic anion 6854
                                carboxylic acid anion 2499
                                  amino-acid anion 847
                                    alpha-amino-acid anion 837
                                      L-alpha-amino acid anion 36
                                        N-acyl-L-alpha-amino acid anion 36
                                          pemetrexed(2-) 0
                                            pemetrexed disodium 0
                                              pemetrexed disodium heptahydrate 0
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