Sialyl-Lewis X

CAS Registry Number®

98603-84-0
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CAS Name

Sialyl-Lewis X

Molecular Formula

C31H52N2O23

Molecular Mass

820.74

Cite this Page

Sialyl-Lewis X.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=98603-84-0 (retrieved 2024-04-25) (CAS RN: 98603-84-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1

InChIKey

InChIKey=LAQPKDLYOBZWBT-NYLDSJSYSA-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](O[C@H]3[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O3)[C@@H](NC(C)=O)C=O)[C@@H](CO)O)O[C@H](CO)[C@@H]2O

Canonical SMILES

O=CC(NC(=O)C)C(OC1OC(C)C(O)C(O)C1O)C(OC2OC(CO)C(O)C(OC3(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(=O)O)C2O)C(O)CO

Other Names for this Substance

  • D-Glucose, O-(N-acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-(acetylamino)-2-deoxy-
  • O-(N-Acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-(acetylamino)-2-deoxy-D-glucose
  • SSEA 1
  • Sialyl-Lewis X
  • SLex

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Deleted or Replaced CAS Registry Numbers

149655-51-6, 2173398-99-5

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