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7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) - Ontology Report - Rat Genome Database

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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:7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11)
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Accession:CHEBI:38348 term browser browse the term
Definition:An aminopyrimidine that consists of 7,8-dicarba-nido-undecaborane(11) bearing a (2,4-diamino-6-methylpyrimidin-5-yl)methyl substituent at position 7.
Synonyms:exact_synonym: 5-{[7,8-dicarba-nido-undecaborane(11)-7-yl]methyl}-6-methylpyrimidine-2,4-diamine
 related_synonym: Formula=C8H19B9N4;   InChI=1S/C8H19B9N4/c1-3-4(5(18)21-6(19)20-3)2-8-7-9-11-10(8)14(8)12(7,8)13(7,9)15(9,11)16(10,11,14)17(12,13,14)15/h7,9-17H,2H2,1H3,(H4,18,19,20,21);   InChIKey=XVJDFUQURIHDSJ-UHFFFAOYSA-N;   SMILES=[H][B]123[B]45([H])[C]67([H])[C]89(Cc%10c(C)nc(N)nc%10N)[B]11([H])[B]22%10([H])[B]343([H])[B]564([H])[B]785([H])[B]912([H])[B]%10345[H]

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  CHEBI ontology 5178
    role 5145
      application 913
        NMR chemical shift reference compound 448
          ammonia 417
            organic amino compound 310
              aromatic amine 36
                aminopyrimidine 0
                  7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) 0
                    (7R)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) 0
                    (7S)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5178
    subatomic particle 5169
      composite particle 5169
        hadron 5169
          baryon 5169
            nucleon 5169
              atomic nucleus 5169
                atom 5169
                  main group element atom 5141
                    main group molecular entity 5140
                      s-block molecular entity 5072
                        hydrogen molecular entity 5066
                          hydrides 4684
                            inorganic hydride 430
                              pnictogen hydride 426
                                nitrogen hydride 426
                                  azane 417
                                    ammonia 417
                                      organic amino compound 310
                                        aromatic amine 36
                                          aminopyrimidine 0
                                            7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) 0
                                              (7R)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) 0
                                              (7S)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) 0
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