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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 chr19:52,529,139...52,549,618
Ensembl chr19:52,529,185...52,540,977 		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 chr12:41,312,365...41,316,157
Ensembl chr12:41,312,367...41,314,741 		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 chr10:63,815,308...63,851,208
Ensembl chr10:63,815,308...63,851,210 		JBrowse link
G Nppb natriuretic peptide B decreases expression ISO Celiprolol results in decreased expression of NPPB mRNA CTD PMID:15262839 NCBI chr 5:158,416,813...158,418,175
Ensembl chr 5:158,416,866...158,418,168 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19853
    chemical entity 19851
      group 19809
        inorganic group 19390
          oxo group 18893
            organic oxo compound 18893
              carbonyl compound 18893
                ketone 17191
                  aromatic ketone 12456
                    3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19797
                    p-block element atom 19797
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19492
                              organochalcogen compound 19254
                                organooxygen compound 19170
                                  carbonyl compound 18893
                                    ketone 17191
                                      aromatic ketone 12456
                                        3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea 4
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