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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:pentiapine
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Accession:CHEBI:177468 term browser browse the term
Synonyms:exact_synonym: 5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine
 related_synonym: Formula=C15H17N5S;   InChI=1S/C15H17N5S/c1-18-8-10-19(11-9-18)14-17-12-4-2-3-5-13(12)21-15-16-6-7-20(14)15/h2-7H,8-11H2,1H3;   InChIKey=FACMWMBWGSPRKO-UHFFFAOYSA-N;   SMILES=S1C=2N(C(N3CCN(CC3)C)=NC=4C1=CC=CC4)C=CN2
 xref: CAS:81382-51-6;   Chemspider:49448


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      atom 19809
        nonmetal atom 19747
          sulfur atom 17687
            sulfur molecular entity 17715
              organosulfur compound 17334
                organic sulfide 10103
                  aryl sulfide 8332
                    pentiapine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organosulfur compound 17334
                                  organic sulfide 10103
                                    aryl sulfide 8332
                                      pentiapine 0
paths to the root