O-(N-Acetyl-α-neuraminosyl-(2→8))-O-(N-acetyl-α-neuraminosyl-(2→3))-O-β-D-galactopyranosyl-(1→4)-D-glucose
CAS Registry Number®
CAS Name
O-(N-Acetyl-α-neuraminosyl-(2→8))-O-(N-acetyl-α-neuraminosyl-(2→3))-O-β-D-galactopyranosyl-(1→4)-D-glucoseMolecular Formula
C34H56N2O27Molecular Mass
924.81Cite this Page
O-(N-Acetyl-α-neuraminosyl-(2→8))-O-(N-acetyl-α-neuraminosyl-(2→3))-O-β-D-galactopyranosyl-(1→4)-D-glucose. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=18409-15-9 (retrieved ) (CAS RN: 38598-36-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C34H56N2O27/c1-10(42)35-19-12(44)3-33(31(54)55,61-27(19)22(50)15(47)6-38)60-18(9-41)24(52)28-20(36-11(2)43)13(45)4-34(62-28,32(56)57)63-29-23(51)17(8-40)58-30(25(29)53)59-26(16(48)7-39)21(49)14(46)5-37/h5,12-30,38-41,44-53H,3-4,6-9H2,1-2H3,(H,35,42)(H,36,43)(H,54,55)(H,56,57)/t12-,13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27+,28+,29-,30-,33+,34-/m0/s1
InChIKey
InChIKey=MQZCSQZIUQOHCH-VRYNHTRWSA-N
SMILES
O([C@@]1(C(O)=O)O[C@@]([C@@H]([C@H](O[C@@]2(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C2)[H])CO)O)([C@H](NC(C)=O)[C@@H](O)C1)[H])[C@@H]3[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]3O
Canonical SMILES
O=CC(O)C(O)C(OC1OC(CO)C(O)C(OC2(OC(C(O)C(OC3(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(=O)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→8))-O-(N-acetyl-α-neuraminosyl-(2→3))-O-β-D-galactopyranosyl-(1→4)-
- O-(N-Acetyl-α-neuraminosyl-(2→8))-O-(N-acetyl-α-neuraminosyl-(2→3))-O-β-D-galactopyranosyl-(1→4)-D-glucose
- 3′-(N-Acetylneuraminosyl-α-(2→8)-N-acetylneuraminosyl)lactose
Deleted or Replaced CAS Registry Numbers
18409-15-9, 162854-96-8, 920013-13-4, 1254178-00-1, 1415959-29-3