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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:pseudoephedrine
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Accession:CHEBI:51209 term browser browse the term
Definition:A member of the class of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol in which the pro-S hydrogen at position 2 is replaced by a methyl group.
Synonyms:exact_synonym: (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
 related_synonym: (+) threo-2-(methylamino)-1-phenyl-1-propanol;   (+)-threo-Ephedrine;   (1S,2S)-Pseudoephedrine;   2-(Methylamino)-1-phenyl-1-propanol;   Formula=C10H15NO;   InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1;   InChIKey=KWGRBVOPPLSCSI-WCBMZHEXSA-N;   Isoephedrine;   L(+)-psi-Ephedrine;   L-(+)-Pseudoephedrine;   Pseudoephedrine D-form;   Psi-ephedrin;   Psi-ephedrine;   SMILES=CN[C@@H](C)[C@@H](O)c1ccccc1;   d-Isoephedrine;   d-Pseudoephedrine;   d-psi-2-Methylamino-1-phenyl-1-propanol;   d-psi-Ephedrine;   pseudoefedrina;   pseudoephedrinum;   trans-Ephedrine
 alt_id: CHEBI:44
 xref: Beilstein:2414132;   CAS:90-82-4;   DrugBank:DB00852;   Drug_Central:2326;   HMDB:HMDB0001943;   KEGG:C02765;   KEGG:D08449;   KNApSAcK:C00031097;   LINCS:LSM-3885;   MetaCyc:CPD-9954;   PMID:11153535;   PMID:12199969;   PMID:15532139;   PMID:16410207;   PMID:16531903;   PMID:16965375;   PMID:17230461;   PMID:17316256;   PMID:26708626;   PMID:26762956;   PMID:26888635;   PMID:27168748;   PMID:27179610;   Reaxys:2414132;   Wikipedia:Pseudoephedrine
 cyclic_relationship: is_conjugate_base_of CHEBI:132296

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  CHEBI ontology 0
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        xenobiotic 0
          pseudoephedrine 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
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          baryon 0
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                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        amino alcohol 0
                                          ethanolamines 0
                                            phenylethanolamines 0
                                              pseudoephedrine 0
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