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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 diketone;   Methyl phenyl glyoxal;   Methylphenylglyoxal;   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 Akr1b8 aldo-keto reductase family 1, member B8 multiple interactions EXP [AKR1B8 protein co-treated with NADP] affects the reduction of 1-phenyl-1,2-propanedione CTD PMID:18845131 NCBI chr 4:61,772,064...61,784,637
Ensembl chr 4:61,771,970...61,828,657
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 chr17:69,388,337...69,435,160
Ensembl chr17:69,388,335...69,404,341
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 8:62,472,087...62,478,122
Ensembl chr 8:62,472,095...62,478,147
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 chr10:72,144,042...72,153,496
Ensembl chr10:72,144,042...72,153,375
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 chr15:33,876,701...33,891,559
Ensembl chr15:33,885,106...33,891,539
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 chr19:14,508,634...14,515,455
Ensembl chr19:14,508,616...14,515,456
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 7:120,580,743...120,592,095
Ensembl chr 7:120,580,743...120,592,095
JBrowse link

Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      chemical role 19256
        environmental contaminant 18595
          benzene 5643
            alkylbenzene 3365
              propylbenzene 10
                1-phenyl-1,2-propanedione 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    main group molecular entity 19658
                      s-block molecular entity 19423
                        hydrogen molecular entity 19416
                          hydrides 18755
                            organic hydride 18356
                              organic fundamental parent 18356
                                hydrocarbon 18074
                                  cyclic hydrocarbon 17089
                                    monocyclic hydrocarbon 5816
                                      annulene 5643
                                        aromatic annulene 5643
                                          benzene 5643
                                            alkylbenzene 3365
                                              propylbenzene 10
                                                1-phenyl-1,2-propanedione 7
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