Chemical Compound

6 -Thio-Neu2CMP5Acalpha3-lactose

6   -Thio-Neu2CMP5Acalpha3-lactose chemical structure
Primary Record

6 -Thio-Neu2CMP5Acalpha3-lactose

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
101120607
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)SC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)OC)CO)O)O)O)O
Canonical SMILES
CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CS[C@@H]3[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O[C@]3(OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3O)C(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Names & Synonyms

  • 6 -Thio-Neu2CMP5Acalpha3-lactose
  • J1.578.718J
  • (2S,3R,4R,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-3-({[(2S,3R,4S,5R,6R)-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl}sulfanyl)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • Methyl 4-O-[6-deoxy-6-[N-acetyl-2-O-(5 -cytidylyl)-beta-neuraminic acid-3alpha-ylthio]-beta-D-galactopyranosyl]-beta-D-glucopyranoside
  • Methyl 6 -[N-acetyl-2-O-(5 -cytidylyl)-beta-neuraminic acid-3alpha-ylthio]-6 -deoxy-beta-lactoside