UCSF

ZINC85994845

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2013 0 No

Popular Name: Sodium (2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl phosphate Sodium (2R,3R,4S)-2,3,4,6-tetrah…

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CAS Numbers: 26177-86-6 , 643-13-0 , [26177-86-6] , [26177-86-6] (anhydrous)

Download: MOL2 SDF SMILES Flexibase

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) -4.15 -7.23 -140.68 4 9 -2 170 258.119 7 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 6P21_YEAST; 6P22_YEAST; ALGA_PSEAE; ALGA_PSEFL; ALGA_PSEPK; ALGA_PSESM; ALGC_PSEAE; ALGC_PSEPK; ALGC_PSESM; ALSE_ECOLI; CYSQ_MYCBO; CYSQ_MYCLE; CYSQ_MYCTU; F16A1_ACAM1; F16A1_BRASB; F16A1_BURP8; F16A1_BURXL; F16A1_CUPNH; F16A1_CUPTR; F16A1_DECAR; F16A1_GR ChEBI
Purity 95% Fluorochem
Reactome Database Links REACT_1084; REACT_1255; REACT_1272; REACT_1690; REACT_1730; REACT_1811; REACT_22115; REACT_22388; REACT_291; REACT_379; REACT_479; REACT_736 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Gluconeogenesis
Glycolysis
Insulin effects increased synthesis of Xylulose-5-Phosphate
Pentose phosphate pathway (hexose monophosphate shunt)
Regulation of Glucokinase by Glucokinase Regulatory Protein
Synthesis of GDP-mannose
Synthesis of UDP-N-acetyl-glucosamine

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

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