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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:5-amino-4-(1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrrol-3-one
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Accession:CHEBI:113088 term browser browse the term
Definition:A pyrroline that has formula C17H13N3OS.
Synonyms:related_synonym: Formula=C17H13N3OS;   InChI=1S/C17H13N3OS/c18-16-15(17-19-12-8-4-5-9-14(12)22-17)13(21)10-20(16)11-6-2-1-3-7-11/h1-9H,10,18H2;   InChIKey=VNPXKXSKKUVBEM-UHFFFAOYSA-N;   SMILES=C1C(=O)C(=C(N1C2=CC=CC=C2)N)C3=NC4=CC=CC=C4S3
 xref: LINCS:LSM-24498


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19853
    chemical entity 19853
      atom 19851
        nonmetal atom 19733
          nitrogen atom 18620
            nitrogen molecular entity 18620
              organonitrogen compound 18395
                organonitrogen heterocyclic compound 17564
                  pyrroline 2
                    5-amino-4-(1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrrol-3-one 0
Path 2
Term Annotations click to browse term
  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
                                  organic heteromonocyclic compound 16597
                                    pyrroline 2
                                      5-amino-4-(1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrrol-3-one 0
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