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ONTOLOGY REPORT - ANNOTATIONS


Term:melagatran
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Accession:CHEBI:43966 term browser browse the term
Definition:A member of the class of azetidines that is (2S)-azetidine 2-carboxylic acid in which the carboxylic acid has been converted to the amide corresponding to formal condensation with 4-(aminomethyl)benzenecarboximidamide and in which the hydrogen attached to the azetidine nitrogen is replaced by a (2R)-2-cyclohexyl-2-[(carboxymethyl)amino]acetyl group.
Synonyms:related_synonym: Formula=C22H31N5O4;   InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1;   InChIKey=DKWNMCUOEDMMIN-PKOBYXMFSA-N;   N-((R)-(((2S)-2-((-p-amidobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine;   N-[(1R)-2-{(2S)-2-[(4-carbamimidoylbenzyl)carbamoyl]azetidin-1-yl}-1-cyclohexyl-2-oxoethyl]glycine;   SMILES=[H][C@]1(CCN1C(=O)[C@H](NCC(O)=O)C1CCCCC1)C(=O)NCc1ccc(cc1)C(N)=N;   melagatranum
 alt_id: CHEBI:73114
 xref: CAS:159776-70-2 "ChemIDplus";   CAS:159776-70-2 "KEGG DRUG";   KEGG:D07143
 xref_mesh: MESH:C109573
 xref: PDBeChem:MEL;   PMID:10102460 "Europe PMC";   PMID:11060733 "Europe PMC";   PMID:12846595 "Europe PMC";   PMID:13680847 "Europe PMC";   PMID:15487959 "Europe PMC";   PMID:16106594 "Europe PMC";   PMID:16123912 "Europe PMC";   PMID:16767816 "Europe PMC";   PMID:22546231 "Europe PMC";   PMID:28338626 "Europe PMC";   PMID:9459334 "Europe PMC";   Reaxys:8090770 "Reaxys"


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melagatran term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G F2 coagulation factor II JBrowse link 3 80,529,468 80,542,993 RGD:6480464
ximelagatran term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G F2 coagulation factor II JBrowse link 3 80,529,468 80,542,993 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19741
    role 19688
      application 19339
        pharmaceutical 19214
          drug 19214
            hematologic agent 4250
              anticoagulant 4045
                melagatran 1
                  ximelagatran 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19741
    subatomic particle 19737
      composite particle 19737
        hadron 19737
          baryon 19737
            nucleon 19737
              atomic nucleus 19737
                atom 19737
                  main group element atom 19622
                    p-block element atom 19622
                      carbon group element atom 19515
                        carbon atom 19508
                          organic molecular entity 19508
                            organic group 18423
                              organic divalent group 18414
                                organodiyl group 18414
                                  carbonyl group 18301
                                    carbonyl compound 18301
                                      carboxylic acid 17966
                                        carboacyl group 17073
                                          univalent carboacyl group 17073
                                            carbamoyl group 16800
                                              carboxamide 16800
                                                dicarboxylic acid amide 3086
                                                  dicarboxylic acid monoamide 670
                                                    melagatran 1
                                                      ximelagatran 1
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