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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:pralatrexate
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Accession:CHEBI:71223 term browser browse the term
Definition:A pteridine that is the N-4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl derivative of L-glutamic acid. Used for treatment of Peripheral T-Cell Lymphoma, an aggressive form of non-Hodgkins lymphoma.
Synonyms:exact_synonym: N-{4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl}-L-glutamic acid
 related_synonym: (2S)-2-((4-((1RS)-1-((2,4-Diaminopteridin-6-yl)methyl)but-3-ynyl)benzoyl)amino)pentanedioic acid;   (2S)-2-({4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl}amino)pentanedioic acid;   10-Propargyl-10-deazaaminopterin;   Folotyn;   Formula=C23H23N7O5;   HSDB 7786;   InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1;   InChIKey=OGSBUKJUDHAQEA-WMCAAGNKSA-N;   N-(4-(1-((2,4-Diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-L-glutamic acid;   SMILES=Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1;   pralatrexato;   pralatrexatum
 xref: CAS:146464-95-1;   Drug_Central:4117;   KEGG:D05589;   PMID:20622807;   PMID:20669794;   PMID:20702104;   PMID:20739433;   PMID:21179031;   PMID:21245435;   PMID:21417858;   PMID:21591544;   PMID:21726160;   PMID:21841501;   PMID:21939422;   PMID:21956523;   PMID:22076116;   PMID:22343388;   PMID:22362328;   PMID:22394596;   PMID:22457602;   PMID:22534814;   PMID:22542448;   PMID:22789917;   PMID:22921318;   PMID:23008944;   PMID:23032692;   PMID:23040436;   PMID:23115213;   Patent:US2005267117;   Patent:US2011190305;   Patent:US6028071;   Patent:US6323205;   Patent:WO2007023243;   Reaxys:6624234;   Wikipedia:Pralatrexate


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Term Annotations click to browse term
  CHEBI ontology 19867
    role 19837
      biological role 19835
        biochemical role 19552
          antimetabolite 10307
            pralatrexate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19867
    subatomic particle 19865
      composite particle 19865
        hadron 19865
          baryon 19865
            nucleon 19865
              atomic nucleus 19865
                atom 19865
                  main group element atom 19803
                    p-block element atom 19803
                      carbon group element atom 19744
                        carbon atom 19740
                          organic molecular entity 19740
                            heteroorganic entity 19512
                              organochalcogen compound 19273
                                organooxygen compound 19189
                                  carbon oxoacid 18660
                                    carboxylic acid 18657
                                      carboacyl group 17700
                                        univalent carboacyl group 17700
                                          carbamoyl group 17551
                                            carboxamide 17551
                                              N-acyl-amino acid 10137
                                                N-acyl-L-amino acid 2089
                                                  N-acyl-L-alpha-amino acid 45
                                                    N-acyl-L-glutamic acid 41
                                                      pralatrexate 0
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