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ONTOLOGY REPORT - ANNOTATIONS


Term:N-(4-aminobutyl)dabigatranamide
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Accession:CHEBI:73197 term browser browse the term
Definition:The monocarboxylic acid amide formed from dabigatran by reaction of the carboxy group of its beta-alanine moiety with putrecine.
Synonyms:exact_synonym: N-{3-[(4-aminobutyl)amino]-3-oxopropyl}-2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-N-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide
 related_synonym: Formula=C29H35N9O2;   InChI=1S/C29H35N9O2/c1-37-24-12-9-21(18-23(24)36-26(37)19-35-22-10-7-20(8-11-22)28(31)32)29(40)38(25-6-2-4-15-33-25)17-13-27(39)34-16-5-3-14-30/h2,4,6-12,15,18,35H,3,5,13-14,16-17,19,30H2,1H3,(H3,31,32)(H,34,39);   InChIKey=YPNOCNAUIHBZMA-UHFFFAOYSA-N;   SMILES=Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(=O)NCCCCN)c1ccccn1;   dabigatran hapten
 xref: PMID:23476049 "Europe PMC"


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Term Annotations click to browse term
  CHEBI ontology 19662
    role 19606
      biological role 19604
        hapten 2973
          N-(4-aminobutyl)dabigatranamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19662
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19658
                atom 19658
                  main group element atom 19539
                    p-block element atom 19539
                      carbon group element atom 19422
                        carbon atom 19414
                          organic molecular entity 19414
                            organic group 18340
                              organic divalent group 18330
                                organodiyl group 18330
                                  carbonyl group 18217
                                    carbonyl compound 18217
                                      carboxylic acid 17921
                                        amino acid 12313
                                          non-proteinogenic amino acid 1726
                                            beta-amino acid 172
                                              beta-alanine 35
                                                beta-alanine derivative 35
                                                  dabigatran 8
                                                    N-(4-aminobutyl)dabigatranamide 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.