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Chemical structure of LSTc

GC76254

LSTc

Also known as (2R,4S,5R,6R)-5-acetamido-2-[[(3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

LSTc (LS-tetrasaccharide c) is a human lactooligosaccharide presents on glycoproteins and glycolipids

ChemicalCAS64003-55-0MW998.88FormulaC37H62N2O29
CAS number
64003-55-0
Molecular weight
998.88
Formula
C37H62N2O29
Solubility
H2O： 125 mg/mL (125·14 mM; Need ultrasonic)
InChIKey
SXMGGNXBTZBGLU-IBUUTZGMSA-N
Catalogue number
GC76254
Brand
GLPBIO
Computed properties PubChem CID 53477861 · XLogP -11.8 · TPSA 510 Ų · H-bond donors 19
XLogP
-11.8
TPSA
510 Ų
H-bond donors
19
H-bond acceptors
29
Rotatable bonds
22
Heavy atoms
68

SMILES CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCC2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O)O)O)O

Computed descriptors from PubChem (CID 53477861), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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