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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:3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoic acid
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Accession:CHEBI:143310 term browser browse the term
Definition:A carboxylic acid that is 3-phenylpropanoic acid substituted at position 4 by a 2-hydroxy-3-(propan-2-ylamino)propoxy group.
Synonyms:related_synonym: 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propionic acid;   Formula=C15H23NO4;   InChI=1S/C15H23NO4/c1-11(2)16-9-13(17)10-20-14-6-3-12(4-7-14)5-8-15(18)19/h3-4,6-7,11,13,16-17H,5,8-10H2,1-2H3,(H,18,19);   InChIKey=ILSCWPMGTDPATI-UHFFFAOYSA-N;   SMILES=CC(C)NCC(O)COc1ccc(CCC(O)=O)cc1
 xref: CAS:81148-15-4;   Reaxys:5284008


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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 4:22,133,984...22,192,687
Ensembl chr 4:22,133,521...22,425,515
JBrowse link
G Bmp6 bone morphogenetic protein 6 increases expression ISO esmolol results in increased expression of BMP6 mRNA CTD PMID:32816093 NCBI chr17:26,955,142...27,112,820
Ensembl chr17:26,955,142...27,112,820
JBrowse link
G Ereg epiregulin increases expression ISO esmolol results in increased expression of EREG mRNA CTD PMID:32816093 NCBI chr14:18,577,620...18,591,395
Ensembl chr14:18,576,355...18,591,394
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 chr19:14,508,634...14,515,455
Ensembl chr19:14,508,616...14,515,456
JBrowse link
G Il1a interleukin 1 alpha increases expression ISO esmolol results in increased expression of IL1A mRNA CTD PMID:32816093 NCBI chr 3:121,824,712...121,836,122
Ensembl chr 3:121,825,412...121,836,086
JBrowse link
G Il1b interleukin 1 beta increases expression ISO esmolol results in increased expression of IL1B mRNA CTD PMID:32816093 NCBI chr 3:121,876,256...121,882,637
Ensembl chr 3:121,876,263...121,882,726
JBrowse link
G Il24 interleukin 24 increases expression ISO esmolol results in increased expression of IL24 mRNA CTD PMID:32816093 NCBI chr13:47,618,451...47,623,849
Ensembl chr13:47,618,452...47,623,849
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 4:44,747,467...44,854,628
Ensembl chr 4:44,774,741...44,852,665
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 9:91,667,748...91,683,468
Ensembl chr 9:91,665,986...91,882,927
JBrowse link
G Ptgs2 prostaglandin-endoperoxide synthase 2 increases expression ISO esmolol results in increased expression of PTGS2 mRNA CTD PMID:32816093 NCBI chr13:67,351,230...67,356,920
Ensembl chr13:67,351,087...67,359,335
JBrowse link
G Ren renin multiple interactions ISO esmolol inhibits the reaction [Nitroprusside results in increased activity of REN protein] CTD PMID:2569849 NCBI chr13:50,502,724...50,513,953
Ensembl chr13:50,502,724...50,514,151
JBrowse link
G Slpi secretory leukocyte peptidase inhibitor increases expression ISO esmolol results in increased expression of SLPI mRNA CTD PMID:32816093 NCBI chr 3:160,799,979...160,802,228
Ensembl chr 3:160,799,981...160,802,433
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 3:37,545,238...37,564,704
Ensembl chr 3:37,545,238...37,564,699
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19775
    role 19722
      application 19411
        refrigerant 17483
          ammonia 17024
            organic amino compound 17023
              secondary amino compound 6590
                3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoic acid 13
                  esmolol + 13
                  methyl 3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoate + 13
Path 2
Term Annotations click to browse term
  CHEBI ontology 19775
    subatomic particle 19774
      composite particle 19774
        hadron 19774
          baryon 19774
            nucleon 19774
              atomic nucleus 19774
                atom 19774
                  main group element atom 19665
                    main group molecular entity 19665
                      s-block molecular entity 19432
                        hydrogen molecular entity 19427
                          hydrides 18757
                            inorganic hydride 17485
                              pnictogen hydride 17462
                                nitrogen hydride 17316
                                  azane 17025
                                    ammonia 17024
                                      organic amino compound 17023
                                        amino alcohol 1033
                                          ethanolamines 800
                                            3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoic acid 13
                                              esmolol + 13
                                              methyl 3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoate + 13
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