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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



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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 19917
    role 19887
      application 19729
        NMR chemical shift reference compound 18095
          ammonia 17892
            organic amino compound 17892
              secondary amino compound 6958
                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 19917
    subatomic particle 19915
      composite particle 19915
        hadron 19915
          baryon 19915
            nucleon 19915
              atomic nucleus 19915
                atom 19915
                  main group element atom 19855
                    main group molecular entity 19855
                      s-block molecular entity 19686
                        hydrogen molecular entity 19667
                          hydrides 19173
                            inorganic hydride 18184
                              pnictogen hydride 18174
                                nitrogen hydride 18087
                                  azane 17893
                                    ammonia 17892
                                      organic amino compound 17892
                                        secondary amino compound 6958
                                          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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