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Glycotriosyl glutamine

CAT: 0804-HY-126800Size: 1 EachDry Ice: NoHazardous: No
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Description
Glycotriosyl glutamine is a synthetic analogue of the Glycopeptide. Glycotriosyl glutamine induces focal glomerulonephritis (FGN) and the appearance of myeloid bodies in the epithelial cells of the podocytes in rats with nephritogenic activity[1].
CAS Number
83235-86-3
UNSPSC
12352005
Target
Drug Derivative; Transmembrane Glycoprotein
Type
Reference compound
Related Pathways
Immunology/Inflammation; Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/glycotriosyl-glutamine.html
Smiles
O[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)OC[C@H]([C@H]([C@@H]([C@H]2O)O)O)O[C@H]2OC[C@H]([C@H]([C@@H]([C@H]3O)O)O)O[C@@H]3NC(CC[C@H](N)C(O)=O)=O
Molecular Formula
C23H40N2O18
Molecular Weight
632.57
References & Citations
[1]Shibata S, et al. Nephritogenic glycoprotein. XII. Focal glomerulonephritis with myeloid bodies produced in rats by synthetic analogues of the glycopeptide, nephritogenoside. Nephron. 1987;47 (2) :101-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Glycotriosyl glutamine

analog of nephritogenoside; structure given

CAS Number83235-86-3
PubChem CID174305
IUPAC Name2-amino-5-oxo-5-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid
Molecular FormulaC23H40N2O18
Molecular Weight632.6
XLogP-10.2
Topological Polar Surface Area341
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count12
Heavy Atom Count43
Formal Charge0
Complexity917
SMILES
C(CC(=O)NC1C(C(C(C(O1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O)C(C(=O)O)N
InChI
InChI=1S/C23H40N2O18/c24-6(21(37)38)1-2-10(27)25-20-17(34)14(31)12(29)8(41-20)4-39-23-19(36)16(33)13(30)9(43-23)5-40-22-18(35)15(32)11(28)7(3-26)42-22/h6-9,11-20,22-23,26,28-36H,1-5,24H2,(H,25,27)(H,37,38)
InChIKey
FBRQDLODWVMGEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glycotriosyl glutamine
CAS: 83235-86-3
CID: 174305
Formula: C23H40N2O18
MW: 632.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight632.6
XLogP3-10.2
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count12
Exact Mass632.22761243
Monoisotopic Mass632.22761243
Topological Polar Surface Area341 Ų
Heavy Atom Count43
Formal Charge0
Complexity917
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count16
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes