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Lacto-N-biose I

CAT: 0013-GTR19190065-01Size: 1 mgDry Ice: NoHazardous: No
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Description
Lacto-N-biose I (Galβ1-3GlcNAc) is a natural disaccharide metabolite. It functions as a specific substrate for the α1,2-fucosyltransferase enzyme from Helicobacter pylori, facilitating in vitro studies of bacterial glycosylation mechanisms and host-pathogen interactions.
CAS Number
50787-09-2
Field of Research
Metabolism Research
Smiles
CC (=O) N[C@@H] (C=O) [C@@H] (O[C@@H]1O[C@H] (CO) [C@H] (O) [C@H] (O) [C@H]1O) [C@H] (O) [C@H] (O) CO
Molecular Formula
C14H25NO11
Molecular Weight
383.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gal(beta1-3)GlcNAc

an important unit in carbohydrate structures of various antigens, including Lewis A and B

CAS Number50787-09-2
PubChem CID170901
IUPAC NameN-[(2R,3R,4R,5R)-4,5,6-trihydroxy-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
Molecular FormulaC14H25NO11
Molecular Weight383.35
XLogP-5
Topological Polar Surface Area206
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity464
SMILES
CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C14H25NO11/c1-5(19)15-6(2-16)13(9(21)7(20)3-17)26-14-12(24)11(23)10(22)8(4-18)25-14/h2,6-14,17-18,20-24H,3-4H2,1H3,(H,15,19)/t6-,7+,8+,9+,10-,11-,12+,13+,14-/m0/s1
InChIKey
QCQYVCMYGCHVMR-ZBELOFFLSA-N
Chemical Structure
2D Structure
2D structure of Gal(beta1-3)GlcNAc
CAS: 50787-09-2
CID: 170901
Formula: C14H25NO11
MW: 383.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.35
XLogP3-5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass383.14276061
Monoisotopic Mass383.14276061
Topological Polar Surface Area206 Ų
Heavy Atom Count26
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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