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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:1-(4-tert-butylcarbamoylpiperazin-1-ylcarbonyl)-3-(3-guanidinopropyl)-4-oxoazetidine-2-carboxylic acid
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Accession:CHEBI:39568 term browser browse the term
Definition:An azetidinecarboxylic acid that consists of 4-oxoazetidine-2-carboxylic acid bearing tert-butylcarbamoyl)piperazin-1-ylcarbonyl and 3-guanidinopropyl groups at positions 1 and 3 respectively.
Synonyms:exact_synonym: 1-{[4-(tert-butylcarbamoyl)piperazin-1-yl]carbonyl}-3-(3-carbamimidamidopropyl)-4-oxoazetidine-2-carboxylic acid
 related_synonym: Formula=C18H31N7O5;   InChI=1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21);   InChIKey=MFTQITSPGQORDA-UHFFFAOYSA-N;   SMILES=CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1C(C(CCCNC(N)=N)C1=O)C(O)=O


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    chemical entity 19769
      atom 19768
        nonmetal atom 19642
          nitrogen atom 18532
            nitrogen molecular entity 18532
              organonitrogen compound 18301
                guanidines 2138
                  1-(4-tert-butylcarbamoylpiperazin-1-ylcarbonyl)-3-(3-guanidinopropyl)-4-oxoazetidine-2-carboxylic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    p-block element atom 19655
                      carbon group element atom 19550
                        carbon atom 19539
                          organic molecular entity 19539
                            organic group 18488
                              organic divalent group 18481
                                organodiyl group 18481
                                  carbonyl group 18384
                                    carbonyl compound 18384
                                      carboxylic acid 18054
                                        carboacyl group 17334
                                          univalent carboacyl group 17334
                                            carbamoyl group 17118
                                              carboxamide 17118
                                                monocarboxylic acid amide 14549
                                                  urea 4983
                                                    ureas 4981
                                                      N-carbamoylpiperazine 30
                                                        1-(4-tert-butylcarbamoylpiperazin-1-ylcarbonyl)-3-(3-guanidinopropyl)-4-oxoazetidine-2-carboxylic acid 0
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