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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:3-methylthiofentanyl
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Accession:CHEBI:53763 term browser browse the term
Definition:A piperidine compound having a (2-thienyl)ethyl substituent at the 1-position, a methyl group at the 3-position and an N-phenylpropanamido group at the 4-position.
Synonyms:exact_synonym: N-{3-methyl-1-[2-(2-thienyl)ethyl]piperidin-4-yl}-N-phenylpropanamide
 related_synonym: 3-Methyl-thiofentanyl;   Formula=C21H28N2OS;   InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3;   InChIKey=SRARDYUHGVMEQI-UHFFFAOYSA-N;   N-(3-Methyl-1-(2-thienyl)ethyl-4-piperidinyl)-N-phenylpropanamide;   SMILES=CCC(=O)N(C1CCN(CCc2cccs2)CC1C)c1ccccc1
 xref: CAS:86052-04-2;   DrugBank:DB01439;   PMID:16621415


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        pharmacological role 19030
          analgesic 14719
            opioid analgesic 667
              3-methylthiofentanyl 0
                (3R)-methylthiofentanyl 0
                (3S)-methylthiofentanyl 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
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            inorganic hydride 18091
                              pnictogen hydride 18080
                                nitrogen hydride 17987
                                  azane 17796
                                    ammonia 17795
                                      organic amino compound 17795
                                        primary amino compound 9297
                                          primary amine 6317
                                            primary arylamine 3643
                                              aniline 3481
                                                anilide 1104
                                                  3-methylthiofentanyl 0
                                                    (3R)-methylthiofentanyl 0
                                                    (3S)-methylthiofentanyl 0
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