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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:1-phenyl-1,2-propanedione
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Accession:CHEBI:63552 term browser browse the term
Definition:An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee.
Synonyms:exact_synonym: 1-phenylpropane-1,2-dione
 related_synonym: 1-phenyl-1,2-dioxopropane;   3-Phenyl-2,3-propanedione;   Acetyl benzoyl;   Acetylbenzoyl;   Benzoyl methyl ketone;   Benzoylacetyl;   Formula=C9H8O2;   InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3;   InChIKey=BVQVLAIMHVDZEL-UHFFFAOYSA-N;   Methyl phenyl glyoxal;   Methylphenylglyoxal;   Phenyl methyl diketone;   Phenylmethyldiketone;   Pyruvophenone;   SMILES=CC(=O)C(=O)c1ccccc1
 xref: CAS:579-07-7;   HMDB:HMDB0035243;   KEGG:C17268
 xref_mesh: MESH:C100349
 xref: MetaCyc:CPD-9949;   PMID:11796169;   Reaxys:878450


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1-phenyl-1,2-propanedione term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G AKR1C2 aldo-keto reductase family 1 member C2 increases expression EXP 1-phenyl-1,2-propanedione results in increased expression of AKR1C2 mRNA CTD PMID:20491607 NCBI chr10:4,987,775...5,018,000
Ensembl chr10:4,987,775...5,018,031 		JBrowse link
G CYP1A1 cytochrome P450 family 1 subfamily A member 1 increases expression EXP 1-phenyl-1,2-propanedione results in increased expression of CYP1A1 mRNA CTD PMID:20491607 NCBI chr15:74,719,542...74,725,528
Ensembl chr15:74,719,542...74,725,536 		JBrowse link
G DHRS11 dehydrogenase/reductase 11 increases reduction EXP DHRS11 protein results in increased reduction of 1-phenyl-1,2-propanedione CTD PMID:30926317 NCBI chr17:36,591,879...36,600,804
Ensembl chr17:36,591,879...36,600,804 		JBrowse link
G DHRS2 dehydrogenase/reductase 2 multiple interactions EXP [NADP co-treated with DHRS2 protein] affects the metabolism of 1-phenyl-1,2-propanedione CTD PMID:16685466 NCBI chr14:23,630,115...23,645,639
Ensembl chr14:23,630,115...23,645,639 		JBrowse link
G HMOX1 heme oxygenase 1 increases expression EXP 1-phenyl-1,2-propanedione results in increased expression of HMOX1 mRNA CTD PMID:20491607 NCBI chr22:35,381,096...35,394,207
Ensembl chr22:35,380,361...35,394,214 		JBrowse link
G MAFF MAF bZIP transcription factor F increases expression EXP 1-phenyl-1,2-propanedione results in increased expression of MAFF mRNA CTD PMID:20491607 NCBI chr22:38,201,994...38,216,511
Ensembl chr22:38,200,767...38,216,507 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      chemical role 24242
        environmental contaminant 20861
          benzene 6134
            alkylbenzene 3635
              propylbenzene 7
                1-phenyl-1,2-propanedione 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    main group molecular entity 25834
                      s-block molecular entity 25166
                        hydrogen molecular entity 24765
                          hydrides 22965
                            organic hydride 21924
                              organic fundamental parent 21924
                                hydrocarbon 21350
                                  cyclic hydrocarbon 19996
                                    monocyclic hydrocarbon 6489
                                      annulene 6132
                                        aromatic annulene 6132
                                          benzene 6134
                                            alkylbenzene 3635
                                              propylbenzene 7
                                                1-phenyl-1,2-propanedione 6
paths to the root