Lacto-N-neotetraose

CAS Registry Number®

13007-32-4
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CAS Name

Lacto-N-neotetraose

Molecular Formula

C26H45NO21

Molecular Mass

707.63

Cite this Page

Lacto-N-neotetraose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13007-32-4 (retrieved 2024-04-27) (CAS RN: 13007-32-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H45NO21/c1-7(33)27-13-17(39)22(47-25-19(41)18(40)15(37)10(4-30)43-25)12(6-32)45-24(13)48-23-16(38)11(5-31)44-26(20(23)42)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-/m0/s1

InChIKey

InChIKey=RBMYDHMFFAVMMM-PLQWBNBWSA-N

SMILES

O([C@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1)[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(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2NC(=O)C)C1O)C(O)CO

Other Names for this Substance

  • D-Glucose, O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-
  • Lacto-N-neotetraose
  • Glucopyranose, O-β-D-galactopyranosyl-(1→4)-O-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-, D-
  • O-β-D-Galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose
  • LNnt

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Deleted or Replaced CAS Registry Numbers

22981-69-7, 60979-01-3, 141183-96-2, 150373-82-3, 1348440-68-5

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