O-(N-Acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-D-galactose

CAS Registry Number®

140913-62-8
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CAS Name

O-(N-Acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-D-galactose

Molecular Formula

C37H62N2O28

Molecular Mass

982.88

Cite this Page

O-(N-Acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-D-galactose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=140913-62-8 (retrieved 2024-09-21) (CAS RN: 140913-62-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H62N2O28/c1-10-21(51)25(55)26(56)34(60-10)65-31-20(39-12(3)46)33(63-28(16(50)7-42)22(52)14(48)5-40)62-18(9-44)29(31)64-35-27(57)32(24(54)17(8-43)61-35)67-37(36(58)59)4-13(47)19(38-11(2)45)30(66-37)23(53)15(49)6-41/h7,10,13-35,40-41,43-44,47-57H,4-6,8-9H2,1-3H3,(H,38,45)(H,39,46)(H,58,59)/t10-,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=HQNBIPWULVCDPY-SZOLRHDZSA-N

SMILES

O([C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@]3(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C3)[H])[C@@H](O)[C@@H](CO)O2)[C@@H](CO)O[C@@H](O[C@@H]([C@H]([C@@H](CO)O)O)[C@H](C=O)O)[C@@H]1NC(C)=O)[C@H]4[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O4

Canonical SMILES

O=CC(O)C(OC1OC(CO)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(OC4OC(C)C(O)C(O)C4O)C1NC(=O)C)C(O)C(O)CO

Other Names for this Substance

  • D-Galactose, O-(N-acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-
  • O-(N-Acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-D-galactose