1,7-Dimethyluric acid (BioCAD00000001697)

blood feces urine kidney liver plant natural products

Metabolite Card

Formula: C7H8N4O3 (196.0596)
SMILES: CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2

Synonyms [en]

1,7-dimethyluric acid; 1,7-dimethylurate; 7,9-Dihydro-1,7-dimethyl-1H-purine-2,6,8(3H)-trione; 1,7-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione; 1,7-dimethyl-3,9-dihydropurine-2,6,8-trione; NOFNCLGCUJJPKU-UHFFFAOYSA-N

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

1,7-Dimethyluric acid. 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: BioCAD00000001697). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

1,7-Dimethyluric acid is the major urinary caffeine metabolite that is produced in the human body. 1,7-Dimethyluric acid is formed during caffeine metabolism and the process is catalyzed primarily by CYP2A6 (PMID: 18715882).

Cytoplasm
Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 33868-03-0
  • PubChem: 91611
  • ChEBI: ChEBI:68449
  • HMDB: HMDB0011103
  • HMDB: HMDB11103
  • KEGG: C16356
  • BioCyc: CPD-12483
  • NCBI MeSH: 1,7-dimethyluric acid
  • RefMet: RM0033507
  • MoNA: CCMSLIB00004679241
  • MoNA: FiehnHILIC000009
  • MoNA: FiehnHILIC000880
  • MoNA: FiehnHILIC001595
  • MoNA: FiehnHILIC002434
  • MoNA: MoNA010799
  • MoNA: MoNA010800
  • MoNA: MoNA010801
  • MoNA: MoNA010802
  • MoNA: MoNA033494
  • MoNA: MoNA033495
  • MoNA: MoNA033497
  • MoNA: MoNA035616
  • MoNA: MoNA035621
  • MoNA: MoNA035622
  • MoNA: MoNA037654
  • MoNA: MoNA038393
  • Metlin: METLIN_61971
  • Coconut NaturalProduct: CNP0095113.0
  • Coconut NaturalProduct: CNP0330109.0

Class / Ontology

Metabolic Network
ID EC Number Name
KEGG:R07945 1.14.14.1 C13747<=>C16356
KEGG:R07977 1.17.3.2 1,7-dimethylxanthine:oxygen oxidoreductase
BioCyc:RXN-11520 1-7-DIMETHYLXANTHINE + OXYGEN-MOLECULE + WATER --> CPD-12483 + HYDROGEN-PEROXIDE
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Organism Source

Taxonomy Source

  1. Achillea ligustica [ncbi taxid: 282745]

Pathway Synthetic

pathway id name
BioCyc:META_PWY-6632 caffeine degradation IV (bacteria, via demethylation and oxidation)
WikiPathways:WP3633 Caffeine and theobromine metabolism
PathBank:SMP0000028 Caffeine Metabolism
PathBank:SMP0063475 Caffeine Metabolism
PathBank:SMP0063604 Caffeine Metabolism
PathBank:SMP0087288 Caffeine Metabolism
PathBank:SMP0087186 Caffeine Metabolism
View All Pathways