Sialyllacto-N-tetraose b

CAS Registry Number®

64003-54-9

CAS Name

Sialyllacto-N-tetraose b

Molecular Formula

C37H62N2O29

Molecular Mass

998.88

Cite this Page

Sialyllacto-N-tetraose b.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64003-54-9 (retrieved 2024-11-24) (CAS RN: 64003-54-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-25(55)30(66-34-27(57)26(56)23(53)16(7-43)62-34)20(39-11(2)46)33(64-18)67-32-24(54)17(8-44)63-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,37+/m0/s1

InChIKey

InChIKey=SFMRPVLZMVJKGZ-JRZQLMJNSA-N

SMILES

O(C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]([C@@H]([C@H](C=O)O)O)[C@@H](CO)O)O[C@H](CO)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]1O)[C@@]4(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C4)[H]

Canonical SMILES

O=CC(O)C(O)C(OC1OC(CO)C(O)C(OC2OC(COC3(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(=O)O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C2NC(=O)C)C1O)C(O)CO

Other Names for this Substance

  • D-Glucose, O-(N-acetyl-α-neuraminosyl)-(2→6)-O-[β-D-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-
  • O-(N-Acetyl-α-neuraminosyl)-(2→6)-O-[β-D-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose
  • Sialyllacto-N-tetraose b
  • LS-tetrasaccharide b
  • LSTb

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Deleted or Replaced CAS Registry Numbers

78405-38-6

CAS INSIGHTSTM
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