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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 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 4:62,997,241...63,009,815 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 chr17:65,759,778...65,808,013
Ensembl chr17:65,759,788...65,775,764
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 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125
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 chr10:69,698,214...69,708,294
Ensembl chr10:69,698,214...69,708,295
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 chr15:28,688,881...28,703,646
Ensembl chr15:28,688,940...28,703,644
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 chr19:13,466,287...13,474,082
Ensembl chr19:13,467,244...13,474,079
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 7:110,912,499...110,923,851
Ensembl chr 7:110,912,499...110,923,851
JBrowse link

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  CHEBI ontology 19800
    role 19751
      chemical role 19320
        environmental contaminant 18628
          benzene 5672
            alkylbenzene 3388
              propylbenzene 10
                1-phenyl-1,2-propanedione 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    main group molecular entity 19698
                      s-block molecular entity 19479
                        hydrogen molecular entity 19471
                          hydrides 18834
                            organic hydride 18348
                              organic fundamental parent 18348
                                hydrocarbon 18059
                                  cyclic hydrocarbon 17069
                                    monocyclic hydrocarbon 5845
                                      annulene 5672
                                        aromatic annulene 5672
                                          benzene 5672
                                            alkylbenzene 3388
                                              propylbenzene 10
                                                1-phenyl-1,2-propanedione 7
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