UCSF

ZINC02562219

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: N-acetyl-D-galactosamine N-acetyl-D-galactosamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14215-68-0 , 14215-68-0; 1811-31-0; 31022-50-1 , 1811-31-0 , 6082-29-7

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) -3.08 -11.36 -15.88 5 7 0 119 221.209 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 158 - 162 Acros Organics
Mp [°C] 158 - 166 Acros Organics
MP 158-162 °C Indofine
Purity 95% Fluorochem
UniProt Database Links ABL_AGABI; AGAA_ECOLI; AGGL_SCLS1; AGGL_SCLSC; ALL1_HORSE; ANP3_PAGBO; CCL11_HUMAN; CCL14_HUMAN; CD24_MOUSE; CGAT1_HUMAN; CGAT1_MOUSE; CGAT2_HUMAN; CGAT2_MOUSE; CHSS1_HUMAN; CHSS1_MOUSE; CHSS2_CAEEL; CHSS2_HUMAN; CHSS2_MOUSE; CHSS3_HUMAN; CHSS3_MOUSE; CHS ChEBI
Patent Database Links EP1731132; EP1844784; US2007248556; US2007265210; US2007270496 ChEBI
UniProt Database Links GALK2_HUMAN; GALK2_MOUSE; GALK2_PONAB; GALK2_RAT ChEBI
Reactome Database Links REACT_115753; REACT_115984; REACT_120972; REACT_121316; REACT_163907 ChEBI
Reactome Database Links REACT_163715; REACT_163747; REACT_7959; REACT_7965; REACT_8002 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
CS/DS degradation
Ficolins bind to repetitive carbohydrate structures on the target cell surface
Glycosphingolipid metabolism
Initial triggering of complement
Keratan sulfate degradation
Lectin pathway of complement activation
Scavenging by Class A Receptors

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

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