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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:(S)-methcathinone
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Accession:CHEBI:145808 term browser browse the term
Definition:A 2-methylamino-1-phenylpropan-1-one that has (S)-configuration.
Synonyms:exact_synonym: (2S)-2-(methylamino)-1-phenylpropan-1-one
 related_synonym: (-)-methcathinone;   (2S)-1-phenyl-2-(methylamino)-1-propanone;   (S)-1-phenyl-1-oxo-2-methylaminopropane;   (S)-2-methylamino-1-phenylpropan-1-one;   Formula=C10H13NO;   InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t8-/m0/s1;   InChIKey=LPLLVINFLBSFRP-QMMMGPOBSA-N;   SMILES=C=1C=C(C=CC1)C([C@@H](NC)C)=O
 xref: CAS:112117-24-5;   KEGG:C22263;   PMID:31900306
 cyclic_relationship: is_conjugate_base_of CHEBI:145731;   is_enantiomer_of CHEBI:149678


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Path 1
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  CHEBI ontology 851
    role 829
      application 469
        refrigerant 219
          ammonia 218
            organic amino compound 218
              secondary amino compound 33
                2-methylamino-1-phenylpropan-1-one 0
                  (S)-methcathinone 0
                    methcathinone 0
Path 2
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  CHEBI ontology 851
    subatomic particle 836
      composite particle 836
        hadron 836
          baryon 836
            nucleon 836
              atomic nucleus 836
                atom 836
                  main group element atom 825
                    main group molecular entity 823
                      s-block molecular entity 711
                        hydrogen molecular entity 698
                          hydrides 335
                            inorganic hydride 229
                              pnictogen hydride 225
                                nitrogen hydride 225
                                  azane 218
                                    ammonia 218
                                      organic amino compound 218
                                        secondary amino compound 33
                                          2-methylamino-1-phenylpropan-1-one 0
                                            (S)-methcathinone 0
                                              methcathinone 0
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