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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:Saroclazine C
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Accession:CHEBI:218551 term browser browse the term
Synonyms:exact_synonym: (6S)-1,4-dimethyl-6-[[4-(3-methylbut-2-enoxy)phenyl]methyl]piperazine-2,3,5-trione
 related_synonym: Formula=C18H22N2O4;   InChI=1S/C18H22N2O4/c1-12(2)9-10-24-14-7-5-13(6-8-14)11-15-16(21)20(4)18(23)17(22)19(15)3/h5-9,15H,10-11H2,1-4H3/t15-/m0/s1;   InChIKey=ZXSMKBNYRITJGY-HNNXBMFYSA-N;   SMILES=O=C1N(C(=O)[C@H](CC2=CC=C(OCC=C(C)C)C=C2)N(C1=O)C)C
 xref: Chemspider:71048709


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26050
    chemical entity 26029
      atom 26025
        nonmetal atom 25513
          nitrogen atom 22541
            nitrogen molecular entity 22541
              organonitrogen compound 21936
                Saroclazine C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26050
    subatomic particle 26025
      composite particle 26025
        hadron 26025
          baryon 26025
            nucleon 26025
              atomic nucleus 26025
                atom 26025
                  main group element atom 25850
                    main group molecular entity 25850
                      s-block molecular entity 25171
                        hydrogen molecular entity 24769
                          hydrides 22979
                            inorganic hydride 20497
                              pnictogen hydride 20438
                                nitrogen hydride 20214
                                  azane 19958
                                    ammonia 19957
                                      organic amino compound 19957
                                        amino acid 17171
                                          alpha-amino acid 14703
                                            Saroclazine C 0
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