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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:3,4-methylenedioxymethamphetamine
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Accession:CHEBI:1391 term browser browse the term
Definition:A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a 2-(methylamino)propyl group at position 5.
Synonyms:exact_synonym: 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
 related_synonym: (RS)-3,4-(methylenedioxy)methamphetamine;   1-(1,3-Benzodioxol-5-yl)-N-methyl-2-propanamine;   DL-(3,4-Methylenedioxy)methamphetamine;   Formula=C11H15NO2;   InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3;   InChIKey=SHXWCVYOXRDMCX-UHFFFAOYSA-N;   MDMA;   N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine;   N-Methyl-3,4-methylenedioxyamphetamine;   SMILES=CNC(C)Cc1ccc2OCOc2c1;   ecstasy
 xref: CAS:42542-10-9;   DrugBank:DB01454;   HMDB:HMDB0041931;   KEGG:C07577
 xref_mesh: MESH:D018817
 xref: PMID:15062945;   PMID:18570171;   Reaxys:158675;   Wikipedia:MDMA


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19838
        role 19814
          biological role 19812
            aetiopathogenetic role 19192
              neurotoxin 18180
                3,4-methylenedioxymethamphetamine 3105
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      CHEBI ontology 19838
        subatomic particle 19836
          composite particle 19836
            hadron 19836
              baryon 19836
                nucleon 19836
                  atomic nucleus 19836
                    atom 19836
                      main group element atom 19786
                        main group molecular entity 19786
                          s-block molecular entity 19624
                            hydrogen molecular entity 19611
                              hydrides 19117
                                inorganic hydride 18115
                                  pnictogen hydride 18104
                                    nitrogen hydride 18011
                                      azane 17821
                                        ammonia 17820
                                          organic amino compound 17820
                                            amine 8281
                                              amphetamines 5813
                                                3,4-methylenedioxymethamphetamine 3105
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