Uric Acid

Details

• Internal ID: fb8537b7-a312-4cce-b941-6ec0b2e32acb
• Taxonomy: Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives > Xanthines
• IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione
• SMILES (Canonical): C12=C(NC(=O)N1)NC(=O)NC2=O
• SMILES (Isomeric): C12=C(NC(=O)N1)NC(=O)NC2=O
• InChI: InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
• InChI Key: LEHOTFFKMJEONL-UHFFFAOYSA-N
• Popularity: 62,396 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₄N₄O₃
• Molecular Weight: 168.11 g/mol
• Exact Mass: 168.02834000 g/mol
• Topological Polar Surface Area (TPSA): 99.30 Ų
• XlogP: -1.90

Synonyms

• 69-93-2
• urate
• Lithic acid
• 2,6,8-trioxypurine
• 2,6,8-trihydroxypurine
• 8-hydroxyxanthine
• 2,6,8-Trioxopurine
• 7,9-Dihydro-1H-purine-2,6,8(3H)-trione
• 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-
• 1H-Purine-2,6,8-triol
• Purine-2,6,8(1H,3H,9H)-trione
• trioxopurine
• Uricum acidum
• 2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
• 7,9-dihydro-3H-purine-2,6,8-trione
• NSC 3975
• AI3-15432
• 1H-purine-2,6,8(3H,7H,9H)-trione
• Idelalisib metabolite m54
• NSC-3975
• EINECS 200-720-7
• DTXSID3042508
• UNII-268B43MJ25
• CHEBI:17775
• MFCD00005712
• CHEMBL792
• 268B43MJ25
• 9H-purine-2,6,8-triol
• DTXCID1022508
• CHEBI:46823
• 2,6-dihydroxy-7,9-dihydropurin-8-one
• NCGC00181032-01
• 8-Hydroxy-3,9-Dihydro-1h-Purine-2,6-Dione
• 6,8-Dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate
• Acid, Uric
• URC
• Lithate
• hypoxanthinediol
• uric acids
• uric-acid
• 2,8-Trioxopurine
• 2,8-Trioxypurine
• 8HX
• Uric acid (8CI)
• 2,8-Trihydroxypurine
• Uric Acid1547
• 1l5s
• 2,6,8-trihydroxypurin
• Purine-2,6,8-triol
• 1H-Purine-2,8-triol
• Uric acid, 99.0%
• URIC ACID [MI]
• URIC ACID [INCI]
• bmse000126
• SCHEMBL7933
• 7H-purine-2,6,8-triol
• URICUM ACIDUM [HPUS]
• (S)-3-Aminoquinuclidine HCl
• GTPL4731
• SCHEMBL15777793
• SCHEMBL17081907
• CHEBI:27226
• CHEBI:46811
• CHEBI:46814
• CHEBI:46817
• CHEBI:62589
• NSC3975
• Uric acid, >=99%, crystalline
• HMS3604N17
• AMY23430
• BCP28980
• HY-B2130
• Purine-2,8(1H,3H,9H)-trione
• Tox21_113563
• BDBM50325824
• s3955
• STL185577
• AKOS000118731
• Purine-3,6,8(1H,3H,9H)-trione
• CCG-339700
• DB08844
• Uric acid, NIST(R) SRM(R) 913b
• CAS-69-93-2
• purine-2,6,8-(1H,3H,9H)-trione
• Uric acid, BioXtra, >=99% (HPLC)
• AS-56119
• SY057305
• 6-hydroxy-1H-purine-2,8(7H,9H)-dione
• 2,6,8-Trioxypurine;2,6,8-Trihydroxypurine
• 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one
• CS-0020287
• FT-0631301
• U0018
• 1H-Purine-2,8(3H)-trione, 7,9-dihydro-
• EN300-19268
• 7,9-Dihydro-3H-purine-2,6,8-trione(Urate)
• C00366
• U-6050
• 1H-Purine-2,6,8-triol 2,6,8-Trihydroxypurine
• 7,9-Dihydro-3H-purine-2,6,8-trione(uric acid)
• A866713
• Q105522
• SR-01000945208
• SR-01000945208-1
• 565FF3AF-8AFA-4EE9-9FC4-6B119784A5BB
• '7,9-DIHYDRO-1H-PURINE-2,6,8(3H)-TRIONE'
• 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- (9CI)
• Z104473370
• InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL255	P29275	Adenosine A2b receptor	91.81%	98.59%
CHEMBL262	P49841	Glycogen synthase kinase-3 beta	89.91%	95.72%
CHEMBL1937	Q92769	Histone deacetylase 2	86.04%	94.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.72%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.31%	95.56%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	82.28%	93.03%

Plants that contains it

• Arabidopsis thaliana
• Lotus corniculatus subsp. corniculatus
• Lotus tenuis

Cross-Links

• PubChem: 1175
• LOTUS: LTS0079428
• wikiData: Q105522