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3,4-methylenedioxymethamphetamine - Ontology Report - Rat Genome Database

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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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        role 22313
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        subatomic particle 22322
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                          s-block molecular entity 21837
                            hydrogen molecular entity 21756
                              hydrides 20799
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                                                3,4-methylenedioxymethamphetamine 3176
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