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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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Term Annotations click to browse term
  CHEBI ontology 19853
    role 19804
      application 19477
        refrigerant 17487
          ammonia 17014
            organic amino compound 17013
              primary amino compound 7890
                N-demethylindolmycin 0
Path 2
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  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic molecule 19568
                              organic cyclic compound 19378
                                organic heterocyclic compound 18495
                                  heteroarene 16534
                                    monocyclic heteroarene 13322
                                      azole 12491
                                        oxazole 3302
                                          1,3-oxazoles 335
                                            N-demethylindolmycin 0
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