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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-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
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Accession:CHEBI:94461 term browser browse the term
Definition:An aromatic ketone that has formula C20H33N3O4.
Synonyms:related_synonym: DL-Celiprolol;   Formula=C20H33N3O4;   InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);   InChIKey=JOATXPAWOHTVSZ-UHFFFAOYSA-N;   SMILES=CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C;   celiprolol HCl;   celiprolol hydrochloride;   celiprolol monohydrochloride;   selectol
 xref: CAS:56980-93-9;   Drug_Central:569;   LINCS:LSM-5187
 xref_mesh: MESH:D017272


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3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Agt angiotensinogen affects response to substance ISO AGT protein polymorphism affects the susceptibility to Celiprolol CTD PMID:12911327 NCBI chr19:57,321,594...57,333,460
Ensembl chr19:57,321,640...57,333,433
JBrowse link
G Dynll1 dynein light chain LC8-type 1 decreases expression ISO Celiprolol results in decreased expression of DYNLL1 mRNA CTD PMID:15262839 NCBI chr12:47,074,200...47,076,573
Ensembl chr12:47,074,200...47,076,572
JBrowse link
G Nos2 nitric oxide synthase 2 multiple interactions ISO Celiprolol results in increased expression of and results in increased phosphorylation of and results in increased activity of NOS2 protein CTD PMID:15262839 NCBI chr10:66,188,290...66,221,621
Ensembl chr10:66,189,786...66,313,190
JBrowse link
G Nppb natriuretic peptide B decreases expression ISO Celiprolol results in decreased expression of NPPB mRNA CTD PMID:15262839 NCBI chr 5:164,796,176...164,797,538
Ensembl chr 5:164,796,185...164,797,531
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19883
    chemical entity 19883
      group 19795
        inorganic group 19228
          oxo group 18479
            organic oxo compound 18479
              carbonyl compound 18479
                ketone 16222
                  aromatic ketone 11937
                    3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      carbon group element atom 19679
                        carbon atom 19668
                          organic molecular entity 19668
                            organic group 18580
                              organic divalent group 18571
                                organodiyl group 18571
                                  carbonyl group 18479
                                    carbonyl compound 18479
                                      ketone 16222
                                        aromatic ketone 11937
                                          3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea 4
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