3′-Sialyl-N-acetyllactosamine

CAS Registry Number®

81693-22-3
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CAS Name

3′-Sialyl-N-acetyllactosamine

Molecular Formula

C25H42N2O19

Molecular Mass

674.60

Cite this Page

3′-Sialyl-N-acetyllactosamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=81693-22-3 (retrieved 2024-04-29) (CAS RN: 81693-22-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H42N2O19/c1-8(32)26-10(4-28)16(37)20(13(36)6-30)44-23-19(40)22(18(39)14(7-31)43-23)46-25(24(41)42)3-11(34)15(27-9(2)33)21(45-25)17(38)12(35)5-29/h4,10-23,29-31,34-40H,3,5-7H2,1-2H3,(H,26,32)(H,27,33)(H,41,42)/t10-,11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22-,23-,25-/m0/s1

InChIKey

InChIKey=RGZDLTASXRMKKF-RXEVBYPSSA-N

SMILES

O([C@@]1(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C1)[H])[C@@H]2[C@@H](O)[C@H](O[C@@H]([C@@H]([C@@H](NC(C)=O)C=O)O)[C@@H](CO)O)O[C@H](CO)[C@@H]2O

Canonical SMILES

O=CC(NC(=O)C)C(O)C(OC1OC(CO)C(O)C(OC2(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(=O)O)C1O)C(O)CO

Other Names for this Substance

  • D-Glucose, O-(N-acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-
  • O-(N-Acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucose
  • 3′-Sialyl-N-acetyllactosamine
  • NeuAc(α2-3)Gal(β1-4)GlcNAc

Deleted or Replaced CAS Registry Numbers

124510-06-1, 221152-87-0, 288153-21-9, 674287-53-7, 744267-08-1, 874120-68-0, 1352787-48-4

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