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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 26041
    role 25957
      application 25179
        NMR chemical shift reference compound 20305
          ammonia 19960
            organic amino compound 19960
              primary amino compound 9944
                N-demethylindolmycin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            organic molecule 25228
                              organic cyclic compound 24281
                                organic heterocyclic compound 22324
                                  heteroarene 18790
                                    monocyclic heteroarene 16150
                                      azole 15707
                                        oxazole 3823
                                          1,3-oxazoles 786
                                            N-demethylindolmycin 0
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