Pyruvophenone (BioCAD00000017048)

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Metabolite Card

Formula: C9H8O2 (148.0524)
SMILES: CC(=O)C(=O)C1=CC=CC=C1

Synonyms [en]

1-phenyl-1,2-propanedione; pyruvophenone; 1-Phenylpropane-1,2-dione; Benzoylacetyl; Benzoyl methyl ketone; Acetylbenzoyl

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Pyruvophenone. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000017048). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

1-Phenyl-1,2-propanedione is found in coffee and coffee products. 1-Phenyl-1,2-propanedione is present in coffee aroma. 1-Phenyl-1,2-propanedione is a flavouring ingredient.

Cytoplasm Extracellular
Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 579-07-7
  • PubChem: 11363
  • ChEBI: ChEBI:63552
  • HMDB: HMDB0035243
  • KEGG: C17268
  • BioCyc: CPD-9949
  • NCBI MeSH: 1-phenyl-1,2-propanedione
  • RefMet: RM0204645
  • MoNA: HMDB0035243_c_ms_101727
  • MoNA: JP008617
  • Metlin: METLIN_63534
  • Coconut NaturalProduct: CNP0302092.0

Class / Ontology

Metabolic Network
ID EC Number Name
KEGG:R09088 C00180 + C00022<=>C17268 + C00011
KEGG:R09089 2.6.1.- C17268<=>C08301
Rhea:RHEA:31892 1.1.1.320 2-hydroxy-1-phenyl-1-propanone + NADP+ => 1-phenyl-1,2-propanedione + NADPH + H+
Rhea:RHEA:31893 1.1.1.320 1-phenyl-1,2-propanedione + NADPH + H+ => 2-hydroxy-1-phenyl-1-propanone + NADP+
Rhea:RHEA:31894 1.1.1.320 2-hydroxy-1-phenyl-1-propanone + NADP+ <=> 1-phenyl-1,2-propanedione + NADPH + H+
Rhea:RHEA:64061 1.1.1.422 (S)-phenylacetylcarbinol + NAD+ => 1-phenyl-1,2-propanedione + NADH + H+
Rhea:RHEA:64062 1.1.1.422 1-phenyl-1,2-propanedione + NADH + H+ => (S)-phenylacetylcarbinol + NAD+
Rhea:RHEA:64063 1.1.1.422 (S)-phenylacetylcarbinol + NAD+ <=> 1-phenyl-1,2-propanedione + NADH + H+
Rhea:RHEA:64069 1.1.1.423 (R)-phenylacetylcarbinol + NAD+ => 1-phenyl-1,2-propanedione + NADH + H+
Rhea:RHEA:64070 1.1.1.423 1-phenyl-1,2-propanedione + NADH + H+ => (R)-phenylacetylcarbinol + NAD+
Rhea:RHEA:64071 1.1.1.423 (R)-phenylacetylcarbinol + NAD+ <=> 1-phenyl-1,2-propanedione + NADH + H+
BioCyc:RXN-21132 1.1.1.422 CPD-9949 + NADH + PROTON --> CPD-22733 + NAD
BioCyc:RXN-21133 1.1.1.423 CPD-9949 + NADH + PROTON --> CPD-22734 + NAD
BioCyc:RXN-9337 BENZOATE + PYRUVATE --> CPD-9949 + CARBON-DIOXIDE
BioCyc:RXN-14054 1.1.1.320 CPD-15061 + NADP<=>CPD-9949 + NADPH + PROTON
BioCyc:RXN-9338 2.6.1.- GLT + CPD-9949<=>2-KETOGLUTARATE + CPD-9950
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