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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
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      CHEBI ontology 22298
        role 22264
          biological role 22281
            aetiopathogenetic role 21279
              neurotoxin 18842
                3,4-methylenedioxymethamphetamine 3180
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      CHEBI ontology 22298
        subatomic particle 22274
          composite particle 22292
            hadron 22292
              baryon 22292
                nucleon 22274
                  atomic nucleus 22292
                    atom 22292
                      main group element atom 22153
                        main group molecular entity 22153
                          s-block molecular entity 21749
                            hydrogen molecular entity 21664
                              hydrides 20790
                                inorganic hydride 18709
                                  pnictogen hydride 18711
                                    nitrogen hydride 18566
                                      azane 18491
                                        ammonia 18470
                                          organic amino compound 18470
                                            amine 8350
                                              amphetamines 5845
                                                3,4-methylenedioxymethamphetamine 3180
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