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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 Akr1b15 aldo-keto reductase family 1 member B15 multiple interactions EXP [AKR1B8 protein co-treated with NADP] affects the reduction of 1-phenyl-1,2-propanedione CTD PMID:18845131 NCBI chr 4:63,964,421...63,976,995
Ensembl chr 4:63,960,880...63,978,349 		JBrowse link
G Akr1c2 aldo-keto reductase family 1, member C2 increases expression ISO 1-phenyl-1,2-propanedione results in increased expression of AKR1C2 mRNA CTD PMID:20491607 NCBI chr17:70,669,684...70,717,935
Ensembl chr17:70,669,710...70,685,686 		JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 increases expression ISO 1-phenyl-1,2-propanedione results in increased expression of CYP1A1 mRNA CTD PMID:20491607 NCBI chr 8:66,991,940...66,998,014
Ensembl chr 8:66,991,970...66,998,012 		JBrowse link
G Dhrs11 dehydrogenase/reductase 11 increases reduction ISO DHRS11 protein results in increased reduction of 1-phenyl-1,2-propanedione CTD PMID:30926317 NCBI chr10:70,195,637...70,205,735
Ensembl chr10:70,195,637...70,205,893 		JBrowse link
G Dhrs2 dehydrogenase/reductase 2 multiple interactions ISO [NADP co-treated with DHRS2 protein] affects the metabolism of 1-phenyl-1,2-propanedione CTD PMID:16685466 NCBI chr15:32,658,855...32,673,591
Ensembl chr15:32,659,223...32,673,588 		JBrowse link
G Hmox1 heme oxygenase 1 increases expression ISO 1-phenyl-1,2-propanedione results in increased expression of HMOX1 mRNA CTD PMID:20491607 NCBI chr19:13,452,365...13,479,823
Ensembl chr19:13,472,884...13,479,818 		JBrowse link
G Maff MAF bZIP transcription factor F increases expression ISO 1-phenyl-1,2-propanedione results in increased expression of MAFF mRNA CTD PMID:20491607 NCBI chr 7:112,792,787...112,804,139
Ensembl chr 7:112,791,416...112,804,147 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      chemical role 20396
        environmental contaminant 19676
          benzene 6042
            alkylbenzene 3755
              propylbenzene 10
                1-phenyl-1,2-propanedione 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    main group molecular entity 20781
                      s-block molecular entity 20574
                        hydrogen molecular entity 20558
                          hydrides 19693
                            organic hydride 19079
                              organic fundamental parent 19079
                                hydrocarbon 18731
                                  cyclic hydrocarbon 17330
                                    monocyclic hydrocarbon 6380
                                      annulene 6042
                                        aromatic annulene 6042
                                          benzene 6042
                                            alkylbenzene 3755
                                              propylbenzene 10
                                                1-phenyl-1,2-propanedione 7
paths to the root