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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:5-amino-4a-methyl-1,2,3,4,4a,4b,7,8,8a,8b-decahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione
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Accession:CHEBI:116698 term browser browse the term
Definition:A member of the class of cyclobutadipyrimidines that is 1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,4,7(3H)-trione carrying additional methyl and amino substituents at positions 4a and 5 respectively.
Synonyms:exact_synonym: 5-amino-4a-methyl-1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,4,7(3H)-trione
 related_synonym: Formula=C9H11N5O3;   InChI=1S/C9H11N5O3/c1-9-2-3(11-7(16)13-5(2)10)4(9)12-8(17)14-6(9)15/h2-4H,1H3,(H3,10,11,13,16)(H2,12,14,15,17);   InChIKey=ICHACPCERMCAMT-UHFFFAOYSA-N;   SMILES=C12C(C3(C1NC(NC3=O)=O)C)C(=NC(N2)=O)N;   cyclobutane-cytosine-thymine;   cytosine-thymine cycloadduct;   cytosine-thymine dimer
 xref: PMID:22817898


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  CHEBI ontology 21726
    role 21705
      biological role 21703
        biochemical role 20925
          metabolite 20878
            prokaryotic metabolite 18952
              bacterial metabolite 18952
                Mycoplasma genitalium metabolite 7797
                  5-amino-4a-methyl-1,2,3,4,4a,4b,7,8,8a,8b-decahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione 0
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  CHEBI ontology 21726
    subatomic particle 21712
      composite particle 21712
        hadron 21712
          baryon 21712
            nucleon 21712
              atomic nucleus 21712
                atom 21712
                  main group element atom 21629
                    p-block element atom 21629
                      carbon group element atom 21433
                        carbon atom 21333
                          organic molecular entity 21333
                            organic molecule 21229
                              organic cyclic compound 20812
                                organic heterocyclic compound 19779
                                  organic heteropolycyclic compound 19370
                                    organic heterotricyclic compound 15326
                                      cyclobutadipyrimidine 0
                                        5-amino-4a-methyl-1,2,3,4,4a,4b,7,8,8a,8b-decahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione 0
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