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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:(R)-esmolol
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Accession:CHEBI:60074 term browser browse the term
Definition:A methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate that has R configuration. The drug esmolol is a racemate comprising equimolar amounts of (R)- and (S)-esmolol. While the S enantiomer possesses all of the heart rate control, both the R and the S enantiomer contribute to lowering blood pressure.
Synonyms:exact_synonym: methyl 3-(4-{[(2R)-2-hydroxy-3-(propan-2-ylamino)propyl]oxy}phenyl)propanoate
 related_synonym: Formula=C16H25NO4;   InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3/t14-/m1/s1;   InChIKey=AQNDDEOPVVGCPG-CQSZACIVSA-N;   SMILES=COC(=O)CCc1ccc(OC[C@H](O)CNC(C)C)cc1
 xref: PMID:15135097;   PMID:15163527;   PMID:20708984;   PMID:25105423
 cyclic_relationship: is_enantiomer_of CHEBI:60075


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esmolol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb4 ATP binding cassette subfamily B member 4 decreases activity ISO esmolol results in decreased activity of ABCB4 protein CTD PMID:28437613 NCBI chr 4:25,150,998...25,209,489
Ensembl chr 4:25,151,953...25,209,202 		JBrowse link
G Bmp6 bone morphogenetic protein 6 increases expression ISO esmolol results in increased expression of BMP6 mRNA CTD PMID:32816093 NCBI chr17:26,318,121...26,469,691
Ensembl chr17:26,318,569...26,470,365 		JBrowse link
G Ereg epiregulin increases expression ISO esmolol results in increased expression of EREG mRNA CTD PMID:32816093 NCBI chr14:17,027,287...17,041,062
Ensembl chr14:17,027,287...17,041,062 		JBrowse link
G Hmox1 heme oxygenase 1 multiple interactions EXP esmolol inhibits the reaction [Dobutamine results in increased expression of HMOX1 protein] CTD PMID:16627864 NCBI chr19:13,466,287...13,474,082
Ensembl chr19:13,467,244...13,474,079 		JBrowse link
G Il1a interleukin 1 alpha increases expression ISO esmolol results in increased expression of IL1A mRNA CTD PMID:32816093 NCBI chr 3:116,526,601...116,537,055
Ensembl chr 3:116,526,604...116,536,822 		JBrowse link
G Il1b interleukin 1 beta increases expression ISO esmolol results in increased expression of IL1B mRNA CTD PMID:32816093 NCBI chr 3:116,577,005...116,583,386
Ensembl chr 3:116,577,010...116,583,415 		JBrowse link
G Il24 interleukin 24 increases expression ISO esmolol results in increased expression of IL24 mRNA CTD PMID:32816093 NCBI chr13:42,353,089...42,358,487
Ensembl chr13:42,353,090...42,358,487 		JBrowse link
G Met MET proto-oncogene, receptor tyrosine kinase increases expression ISO esmolol results in increased expression of MET mRNA CTD PMID:32816093 NCBI chr 4:45,790,456...45,898,139
Ensembl chr 4:45,790,791...45,897,876 		JBrowse link
G Pid1 phosphotyrosine interaction domain containing 1 increases expression ISO esmolol results in increased expression of PID1 mRNA CTD PMID:32816093 NCBI chr 9:85,284,335...85,503,035
Ensembl chr 9:85,284,335...85,503,044 		JBrowse link
G Ptgs2 prostaglandin-endoperoxide synthase 2 increases expression ISO esmolol results in increased expression of PTGS2 mRNA CTD PMID:32816093 NCBI chr13:62,163,936...62,172,193
Ensembl chr13:62,163,932...62,172,188 		JBrowse link
G Ren renin multiple interactions ISO esmolol inhibits the reaction [Nitroprusside results in increased activity of REN protein] CTD PMID:2569849 NCBI chr13:44,796,260...44,807,491
Ensembl chr13:44,796,091...44,807,489 		JBrowse link
G Slpi secretory leukocyte peptidase inhibitor increases expression ISO esmolol results in increased expression of SLPI mRNA CTD PMID:32816093 NCBI chr 3:153,082,208...153,084,457
Ensembl chr 3:153,082,369...153,084,453 		JBrowse link
G Tnfaip6 TNF alpha induced protein 6 increases expression ISO esmolol results in increased expression of TNFAIP6 mRNA CTD PMID:32816093 NCBI chr 3:36,502,250...36,521,652
Ensembl chr 3:36,502,188...36,521,649 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      application 19650
        fuel 11353
          methanol 3961
            methyl ester 3908
              methyl 3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoate 13
                (R)-esmolol 13
                  esmolol + 13
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    main group molecular entity 19779
                      s-block molecular entity 19617
                        hydrogen molecular entity 19604
                          hydrides 19102
                            inorganic hydride 18114
                              pnictogen hydride 18103
                                nitrogen hydride 18010
                                  azane 17819
                                    ammonia 17818
                                      organic amino compound 17818
                                        amino alcohol 1071
                                          ethanolamines 821
                                            3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoic acid 13
                                              methyl 3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoate 13
                                                (R)-esmolol 13
                                                  esmolol + 13
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