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-β-D-galactopyranosyl-(1→4)-D-glucose

CAS Registry Number®

127923-85-7
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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)-O-β-D-galactopyranosyl-(1→4)-D-glucose

Molecular Formula

C43H72N2O33

Molecular Mass

1145.03

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)-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=127923-85-7 (retrieved 2024-08-28) (CAS RN: 127923-85-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H72N2O33/c1-11-23(58)28(63)29(64)39(69-11)75-35-22(45-13(3)53)38(76-36-26(61)18(8-49)70-40(30(36)65)73-32(17(57)7-48)24(59)15(55)5-46)72-20(10-51)33(35)74-41-31(66)37(27(62)19(9-50)71-41)78-43(42(67)68)4-14(54)21(44-12(2)52)34(77-43)25(60)16(56)6-47/h5,11,14-41,47-51,54-66H,4,6-10H2,1-3H3,(H,44,52)(H,45,53)(H,67,68)/t11-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,43-/m0/s1

InChIKey

InChIKey=MIEFTLKRJLOCFD-HTLVECFOSA-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]3[C@H](O[C@H]4[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O4)[C@@H](NC(C)=O)[C@H](O[C@@H]5[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]5O)O[C@@H]3CO)O[C@H](CO)[C@@H]2O

Canonical SMILES

O=CC(O)C(O)C(OC1OC(CO)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)C(=O)O)C3O)C(OC5OC(C)C(O)C(O)C5O)C2NC(=O)C)C1O)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)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-
  • 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-β-D-galactopyranosyl-(1→4)-D-glucose
  • Sialyl Lex penta