Fucosyllacto-N-hexaose

CAS Registry Number®

96656-34-7
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CAS Name

Fucosyllacto-N-hexaose

Molecular Formula

C46H78N2O35

Molecular Mass

1219.10

Cite this Page

Fucosyllacto-N-hexaose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=96656-34-7 (retrieved 2024-04-30) (CAS RN: 96656-34-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H78N2O35/c1-11-23(59)29(65)32(68)43(73-11)82-39-22(48-13(3)56)41(77-19(9-54)37(39)80-44-33(69)30(66)25(61)16(6-51)75-44)72-10-20-28(64)40(35(71)46(78-20)79-36(15(58)5-50)24(60)14(57)4-49)83-42-21(47-12(2)55)38(27(63)18(8-53)74-42)81-45-34(70)31(67)26(62)17(7-52)76-45/h4,11,14-46,50-54,57-71H,5-10H2,1-3H3,(H,47,55)(H,48,56)/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+,42-,43-,44-,45-,46-/m0/s1

InChIKey

InChIKey=FTLGNHHXLNTXFF-DSLAEONQSA-N

SMILES

O([C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H](OC[C@@H]3[C@H](O)[C@H](O[C@H]4[C@H](NC(C)=O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O[C@@H]([C@@H]([C@H](C=O)O)O)[C@@H](CO)O)O3)[C@@H]1NC(C)=O)[C@H]6[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O6

Canonical SMILES

O=CC(O)C(O)C(OC1OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(OC4OC(C)C(O)C(O)C4O)C2NC(=O)C)C(O)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5NC(=O)C)C1O)C(O)CO

Other Names for this Substance

  • D-Glucose, O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-6-deoxy-α-L-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-
  • D-Glucose, O-6-deoxy-α-L-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→4)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)-O-[O-β-D-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)]-O-β-D-galactopyranosyl-(1→4)-
  • O-β-D-Galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-6-deoxy-α-L-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-D-glucose
  • monofucosyllacto-N-hexaose III
  • Monofucosyllacto-N-hexaose

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Deleted or Replaced CAS Registry Numbers

176022-17-6

CAS INSIGHTSTM
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