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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:Rufomycin NBZ6
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Accession:CHEBI:225814 term browser browse the term
Synonyms:exact_synonym: (3S,6S,9S,12S,15S,18S,21S)-15-[(E)-but-2-enyl]-6-[(4-hydroxy-3-nitrophenyl)methyl]-1,3-dimethyl-9,18,21-tris(2-methylpropyl)-12-[[1-[2-[(2S)-oxiran-2-yl]propan-2-yl]indol-3-yl]methyl]-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
 related_synonym: Formula=C53H75N9O11;   InChI=1S/C53H75N9O11/c1-12-13-17-36-46(64)58-40(26-34-27-61(53(9,10)45-28-73-45)41-18-15-14-16-35(34)41)50(68)56-37(21-29(2)3)49(67)57-39(24-33-19-20-44(63)42(25-33)62(71)72)47(65)54-32(8)52(70)60(11)43(23-31(6)7)51(69)59-38(22-30(4)5)48(66)55-36/h12-16,18-20,25,27,29-32,36-40,43,45,63H,17,21-24,26,28H2,1-11H3,(H,54,65)(H,55,66)(H,56,68)(H,57,67)(H,58,64)(H,59,69)/b13-12+/t32-,36-,37-,38-,39-,40-,43-,45+/m0/s1;   InChIKey=RMGQPCJBCAGCTM-RKLCLHEHSA-N;   SMILES=O=[N+]([O-])C1=C(O)C=CC(=C1)C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC([C@@H](N(C([C@@H](NC2=O)C)=O)C)CC(C)C)=O)CC(C)C)=O)C/C=C/C)CC=3C4=C(C=CC=C4)N(C3)C([C@@H]5OC5)(C)C)CC(C)C


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Term Annotations click to browse term
  CHEBI ontology 26495
    chemical entity 26475
      group 26335
        organic group 23813
          amino-acid residue 11968
            peptide 11967
              oligopeptide 1355
                Rufomycin NBZ6 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26495
    subatomic particle 26471
      composite particle 26471
        hadron 26471
          baryon 26471
            nucleon 26471
              atomic nucleus 26471
                atom 26471
                  main group element atom 26207
                    p-block element atom 26207
                      carbon group element atom 25650
                        carbon atom 25612
                          organic molecular entity 25612
                            heteroorganic entity 24993
                              organochalcogen compound 24589
                                organooxygen compound 24183
                                  carbon oxoacid 22797
                                    carboxylic acid 22777
                                      carboacyl group 20069
                                        univalent carboacyl group 20069
                                          carbamoyl group 19593
                                            carboxamide 19593
                                              peptide 11967
                                                oligopeptide 1355
                                                  Rufomycin NBZ6 0
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