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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:N(1),N(3)-bis[2-(bis\{2-[(2-aminoethyl)amino]-2-oxoethyl\}amino)ethyl]-2-[2-(2-\{2-[(prop-2-yn-1-yl)oxy]ethoxy\}ethoxy)ethyl]malonamide
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Accession:CHEBI:141738 term browser browse the term
Definition:A dendrimer macromolecule consisting of a malonamide core, each N of which carries a 2-(bis{2-[(2-aminoethyl)amino]-2-oxoethyl}amino)ethyl branch and with a 2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl substituent at C-2.
Synonyms:exact_synonym: N(1),N(15)-bis(2-aminoethyl)-3,13-bis{2-[(2-aminoethyl)amino]-2-oxoethyl}-7,9-dioxo-8-[2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl]-3,6,10,13-tetraazapentadecane-1,15-diamide
 related_synonym: Formula=C32H62N12O9;   InChI=1S/C32H62N12O9/c1-2-16-51-18-20-53-21-19-52-17-3-26(31(49)41-12-14-43(22-27(45)37-8-4-33)23-28(46)38-9-5-34)32(50)42-13-15-44(24-29(47)39-10-6-35)25-30(48)40-11-7-36/h1,26H,3-25,33-36H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,50);   InChIKey=VNXYBYLNVQNJMZ-UHFFFAOYSA-N;   N,N'-bis(2-aminoethyl)-3,13-bis{2-[(2-aminoethyl)amino]-2-oxoethyl}-7,9-dioxo-8-[2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl]-3,6,10,13-tetraazapentadecane-1,15-diamide;   SMILES=N(C(C(C(NCCN(CC(NCCN)=O)CC(NCCN)=O)=O)CCOCCOCCOCC#C)=O)CCN(CC(NCCN)=O)CC(NCCN)=O
 xref: PMID:30082627


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  CHEBI ontology 19880
    chemical entity 19878
      molecular entity 19878
        polyatomic entity 19830
          macromolecule 8834
            dendrimer macromolecule 0
              N(1),N(3)-bis[2-(bis\{2-[(2-aminoethyl)amino]-2-oxoethyl\}amino)ethyl]-2-[2-(2-\{2-[(prop-2-yn-1-yl)oxy]ethoxy\}ethoxy)ethyl]malonamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  group 19831
                    polyatomic entity 19830
                      macromolecule 8834
                        dendrimer macromolecule 0
                          N(1),N(3)-bis[2-(bis\{2-[(2-aminoethyl)amino]-2-oxoethyl\}amino)ethyl]-2-[2-(2-\{2-[(prop-2-yn-1-yl)oxy]ethoxy\}ethoxy)ethyl]malonamide 0
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