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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-demethylindolmycin
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Accession:CHEBI:111763 term browser browse the term
Definition:A member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted at the 2 and 5-pro-S positions by amino and [(1R)-1-(1H-indol-3-yl)ethyl] groups, respectively.
Synonyms:exact_synonym: (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one
 related_synonym: Formula=C13H13N3O2;   InChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/t7-,11+/m1/s1;   InChIKey=JMQXZRUQJGJVSC-HQJQHLMTSA-N;   SMILES=C12=CC=CC=C1C(=CN2)[C@@H](C)[C@]3(C(N=C(O3)N)=O)[H]
 xref: MetaCyc:CPD-18933;   PMID:25730866;   Reaxys:8988159
 cyclic_relationship: is_conjugate_base_of CHEBI:91178


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      application 19650
        NMR chemical shift reference compound 17958
          ammonia 17818
            organic amino compound 17818
              primary amino compound 9308
                N-demethylindolmycin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            organic molecule 19677
                              organic cyclic compound 19490
                                organic heterocyclic compound 18852
                                  heteroarene 17138
                                    monocyclic heteroarene 14871
                                      azole 14376
                                        oxazole 3648
                                          1,3-oxazoles 797
                                            N-demethylindolmycin 0
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