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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 19669
    role 19613
      application 19235
        pharmaceutical 19097
          drug 19097
            hematologic agent 4249
              anticoagulant 4045
                melagatran 1
                  ximelagatran 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      carboxylic acid 17923
                                        carboacyl group 16943
                                          univalent carboacyl group 16943
                                            carbamoyl group 16622
                                              carboxamide 16622
                                                dicarboxylic acid amide 3083
                                                  dicarboxylic acid monoamide 669
                                                    melagatran 1
                                                      ximelagatran 1
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