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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 20050
    role 20001
      biological role 20000
        xenobiotic 18623
          pseudoephedrine 0
Path 2
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  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    main group molecular entity 19948
                      s-block molecular entity 19735
                        hydrogen molecular entity 19727
                          hydrides 19093
                            inorganic hydride 17893
                              pnictogen hydride 17876
                                nitrogen hydride 17767
                                  azane 17517
                                    ammonia 17516
                                      organic amino compound 17516
                                        amino alcohol 1036
                                          ethanolamines 801
                                            phenylethanolamines 593
                                              pseudoephedrine 0
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