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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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Term Annotations click to browse term
  CHEBI ontology 19817
    role 19767
      biological role 19767
        aetiopathogenetic role 18963
          neurotoxin 17609
            3,4-methylenedioxymethamphetamine 3110
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Term Annotations click to browse term
  CHEBI ontology 19817
    subatomic particle 19815
      composite particle 19815
        hadron 19815
          baryon 19815
            nucleon 19815
              atomic nucleus 19815
                atom 19815
                  main group element atom 19705
                    main group molecular entity 19705
                      s-block molecular entity 19458
                        hydrogen molecular entity 19451
                          hydrides 18730
                            inorganic hydride 17476
                              pnictogen hydride 17450
                                nitrogen hydride 17296
                                  azane 17014
                                    ammonia 17013
                                      organic amino compound 17012
                                        amine 7795
                                          amphetamines 5718
                                            3,4-methylenedioxymethamphetamine 3110
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