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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:4-[(1S)-1-hydroxy-2-\{[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino\}ethyl]phenol
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Accession:CHEBI:82652 term browser browse the term
Definition:A 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol in which the carbon bearing the hydroxy group has S configuration while the remaining stereocentre has R configuration.
Synonyms:related_synonym: Formula=C18H23NO3;   InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3/t13-,18-/m1/s1;   InChIKey=YJQZYXCXBBCEAQ-FZKQIMNGSA-N;   SMILES=C[C@H](CCc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)cc1
 xref: PMID:12597381;   Reaxys:19298160
 cyclic_relationship: is_enantiomer_of CHEBI:82653


show annotations for term's descendants           Sort by:
ractopamine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Adrb2 adrenoceptor beta 2 increases activity ISO ractopamine results in increased activity of ADRB2 protein CTD PMID:34601065 NCBI chr18:55,642,459...55,644,501
Ensembl chr18:55,502,903...55,644,512 		JBrowse link
G Esr1 estrogen receptor 1 multiple interactions ISO ractopamine binds to and results in increased activity of ESR1 protein CTD PMID:24928891 NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002 		JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO ractopamine results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19893
    role 19863
      application 19707
        NMR chemical shift reference compound 18083
          ammonia 17884
            organic amino compound 17884
              secondary amino compound 6965
                4-(1-hydroxy-2-\{[4-(4-hydroxyphenyl)butan-2-yl]amino\}ethyl)phenol 3
                  4-[(1S)-1-hydroxy-2-\{[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino\}ethyl]phenol 3
                    ractopamine 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    main group molecular entity 19830
                      s-block molecular entity 19664
                        hydrogen molecular entity 19646
                          hydrides 19154
                            inorganic hydride 18177
                              pnictogen hydride 18167
                                nitrogen hydride 18080
                                  azane 17885
                                    ammonia 17884
                                      organic amino compound 17884
                                        secondary amino compound 6965
                                          4-(1-hydroxy-2-\{[4-(4-hydroxyphenyl)butan-2-yl]amino\}ethyl)phenol 3
                                            4-[(1S)-1-hydroxy-2-\{[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino\}ethyl]phenol 3
                                              ractopamine 3
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