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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:undecan-2-one
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Accession:CHEBI:17700 term browser browse the term
Definition:A dialkyl ketone with methyl and nonyl as the two alkyl groups.
Synonyms:related_synonym: 2-Undecanone;   2-hendecanone;   Formula=C11H22O;   InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3;   InChIKey=KYWIYKKSMDLRDC-UHFFFAOYSA-N;   Methyl nonyl ketone;   SMILES=CCCCCCCCCC(C)=O;   rue ketone
 alt_id: CHEBI:11658;   CHEBI:1280;   CHEBI:19792
 xref: CAS:112-12-9;   DrugBank:DB08688;   HMDB:HMDB0033713;   KEGG:C01875;   KNApSAcK:C00030758;   LIPID_MAPS_instance:LMFA12000002
 xref_mesh: MESH:C526928
 xref: MetaCyc:2-UNDECANONE;   PDBeChem:UOC;   PMID:17453350;   PMID:20931852;   PMID:21366058;   PMID:21738794;   PMID:23292923;   PPDB:1397;   Reaxys:1749573;   Wikipedia:2-Undecanone


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undecan-2-one term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ar androgen receptor multiple interactions ISO undecan-2-one binds to and results in decreased activity of AR protein CTD PMID:27633901 NCBI chr  X:67,656,253...67,828,998
Ensembl chr  X:67,656,253...67,829,026
JBrowse link
G Esr2 estrogen receptor 2 multiple interactions ISO undecan-2-one binds to and results in decreased activity of ESR2 protein CTD PMID:27633901 NCBI chr 6:99,163,953...99,214,711
Ensembl chr 6:99,164,357...99,214,251
JBrowse link
G Nr3c1 nuclear receptor subfamily 3, group C, member 1 multiple interactions ISO undecan-2-one binds to and results in decreased activity of NR3C1 protein CTD PMID:27633901 NCBI chr18:31,728,373...32,704,022
Ensembl chr18:31,728,373...31,749,647
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      application 19426
        pesticide 16430
          rodenticide 5929
            undecan-2-one 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic group 18537
                              organic divalent group 18530
                                organodiyl group 18530
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      ketone 16173
                                        dialkyl ketone 42
                                          undecan-2-one 3
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