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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:methyl 3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoate
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Accession:CHEBI:88206 term browser browse the term
Definition:A methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group.
Synonyms: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;   InChIKey=AQNDDEOPVVGCPG-UHFFFAOYSA-N;   SMILES=C(=O)(CCC=1C=CC(OCC(CNC(C)C)O)=CC1)OC
 xref: LINCS:LSM-4957



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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 4:25,150,998...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...26,469,034
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 chr13:62,164,080...62,169,770
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 20059
    role 20009
      application 19747
        fuel 11263
          methanol 3866
            methyl ester 3837
              methyl 3-\{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl\}propanoate 13
                (R)-esmolol + 13
                (S)-esmolol + 13
Path 2
Term Annotations click to browse term
  CHEBI ontology 20059
    subatomic particle 20056
      composite particle 20056
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19956
                    main group molecular entity 19956
                      s-block molecular entity 19744
                        hydrogen molecular entity 19736
                          hydrides 19102
                            inorganic hydride 17893
                              pnictogen hydride 17876
                                nitrogen hydride 17766
                                  azane 17518
                                    ammonia 17517
                                      organic amino compound 17517
                                        amino alcohol 1035
                                          ethanolamines 801
                                            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
                                                (S)-esmolol + 13
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