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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 26496
        role 26319
          biological role 26298
            aetiopathogenetic role 24872
              neurotoxin 20869
                3,4-methylenedioxymethamphetamine 3110
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      CHEBI ontology 26496
        subatomic particle 26472
          composite particle 26472
            hadron 26472
              baryon 26472
                nucleon 26472
                  atomic nucleus 26472
                    atom 26472
                      main group element atom 26210
                        main group molecular entity 26210
                          s-block molecular entity 25453
                            hydrogen molecular entity 24862
                              hydrides 23074
                                inorganic hydride 20541
                                  pnictogen hydride 20483
                                    nitrogen hydride 20267
                                      azane 19995
                                        ammonia 19994
                                          organic amino compound 19994
                                            amine 8510
                                              amphetamines 5773
                                                3,4-methylenedioxymethamphetamine 3110
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