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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 19773
        role 19723
          biological role 19723
            aetiopathogenetic role 18974
              neurotoxin 17657
                3,4-methylenedioxymethamphetamine 3108
    Path 2
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      CHEBI ontology 19773
        subatomic particle 19771
          composite particle 19771
            hadron 19771
              baryon 19771
                nucleon 19771
                  atomic nucleus 19771
                    atom 19771
                      main group element atom 19665
                        main group molecular entity 19665
                          s-block molecular entity 19430
                            hydrogen molecular entity 19424
                              hydrides 18758
                                inorganic hydride 17457
                                  pnictogen hydride 17432
                                    nitrogen hydride 17277
                                      azane 17009
                                        ammonia 17008
                                          organic amino compound 17007
                                            amine 7796
                                              amphetamines 5716
                                                3,4-methylenedioxymethamphetamine 3108
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