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Chemical structure of Lacto-N-biose I

GC63037

Lacto-N-biose I

Also known as N-[(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

Lacto-N-biose I (Galβ1-3GlcNAc), as an endogenous metabolite, is an acceptor for the α1,2-fucosyltransferase enzyme from Helicobacter pylori

ChemicalCAS50787-09-2MW383.35FormulaC14H25NO11
CAS number
50787-09-2
Molecular weight
383.35
Formula
C14H25NO11
InChIKey
QCQYVCMYGCHVMR-ZBELOFFLSA-N
Catalogue number
GC63037
Brand
GLPBIO
Computed properties PubChem CID 170901 · XLogP -5 · TPSA 206 Ų · H-bond donors 8
XLogP
-5
TPSA
206 Ų
H-bond donors
8
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
26

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

Computed descriptors from PubChem (CID 170901), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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