UCSF

ZINC02041003

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 12 Yes

Popular Name: Uric acid Uric acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 18276-11-4 , 69-93-2 , [69-93-2]

Other Names:

1H-Purine-2, 6,8-triol; 1H-Purine-2,6,8-triol; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-; 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one; 2,6, 8-Trioxypurine; 2,6,8-Trihydroxypurine; 2,6,8-Trioxopurine; 2,6,8-trioxypurine; 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(3H)-trione, 7,9-dihydro-, monosodium salt; 7,9-Dihydro-1H-purine-2,6,8(3H)-trione, monosodium salt; EINECS 214-838-1; LS-160801; Monosodium urate; Sodium urate; Uric acid, monosodium salt

1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-; 1H-Purine-2,6,8-triol; 2,6,8-Trihydroxypurine; 2,6,8-Trioxopurine; 2,6,8-Trioxypurine; 7,9-Dihydro-1H-purine-2,6,8(3H)-trione; AI3-15432; Lithic acid; Purine-2,6,8(1H,3H,9H)-trione; URIC ACID; Urate; bmse000126

1H-Purine-2,6,8-triol; 2,6,8-Trihydroxypurine; 2,6,8-Trioxopurine; 2,6,8-Trioxypurine; Lithate; Lithic acid; Purine-2,6,8(1H,3H,9H)-trione; Urate; Uric acid

1H-Purine-2,6,8-triol;2,6,8-Trihydroxypurine;2,6,8-Trioxopurine;2,6,8-Trioxypurine;Lithate;Lithic acid;Purine-2,6,8(1H,3H,9H)-trione;Urate;Uric acid

2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

2,6,8-trioxopurine; 2,6,8-trioxypurine; purine-2,6,8(1H,3H,9H)-trione; urate

2,6-dihydroxy-7,9-dihydro-8H-purin-8-one

2,8-dihydroxy-1H-purin-6-olate

2.6.8-Trioxypurine 1H-Purine-2,6,8-triol

6-hydroxy-2,8-dioxo-2,7,8,9-tetrahydropurin-1-ide

69-93-2; C00366; Urate; Uric acid

7,9-Dihydro-1h-Purine-2,6,8(3h)-Trione

AMMONIUM URATE

AMMONIUMURATE

CHEBI:46455; CHEBI:9885

DCL000971

MFCD00005712

S-777469

Uric acid, 99%

Uric acid, 99+%

UricAcid

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.99 -5.59 -30.42 3 7 -1 117 167.104 0 ↓
Lo Low (pH 4.5-6) -1.44 -3.48 -11.55 4 7 0 114 168.112 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.76e+00 g/l DrugBank-experimental
MP 298 - 300 Enamine Building Blocks
MP 298...300 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Mp [°C] >300 Acros Organics
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
UniProt Database Links ABCG2_BOVIN; ABCG2_HUMAN; ABCG2_MACMU; ABCG2_MOUSE; ABCG2_PIG; ABCG2_RAT; ALLC_NEUCR; CAT3_NEUCR; CATB_EMENI; GTR9_HUMAN; GTR9_PONAB; HIUH_BACHD; HIUH_BACSU; HIUH_DANRE; HIUH_DEIRA; HIUH_MOUSE; HIUH_SOYBN; HPXO_KLEOX; HPXO_KLEP7; HPXO_KLEPN; LEG9_RAT; LPE ChEBI
Patent Database Links EP0982306; EP1364958; EP1400529; EP1525890; EP1767531; US2003013772; US2005085555; US2006083695; US2006128635; US2006257338; US2008241102; WO2005053676; WO2008124749 ChEBI
Reactome Database Links REACT_160104; REACT_19288; REACT_22238; REACT_624 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GUAD-1-E Guanine Deaminase (cluster #1 Of 1), Eukaryotic Eukaryotes 4340 0.63 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GUAD_HUMAN Q9Y2T3 Guanine Deaminase, Human 4340 0.63 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Class II GLUTs
Organic anion transport
Purine catabolism
Stimuli-sensing channels
Urate synthesis

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine catabolism

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.