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Substance Name: Lacto-N-neotetraose
RN: 13007-32-4
UNII: BY63N40B1L
InChIKey: RBMYDHMFFAVMMM-PLQWBNBWSA-N

Note

  • Binds human cold agglutinin.

Molecular Formula

  • C26-H45-N-O21

Molecular Weight

  • 707.628
 
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Names and Synonyms

Name of Substance

  • Lacto-N-neotetraose

Synonyms

  • Lacto-N-tetraose
  • UNII-BY63N40B1L

Systematic Name

  • D-Glucose, O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-

Registry Numbers

CAS Registry Number

  • 13007-32-4

FDA UNII

  • BY63N40B1L

System Generated Number

  • 0013007324

Structure Descriptors

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

RBMYDHMFFAVMMM-PLQWBNBWSA-N

Smiles

O([C@H]1[C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H](O)[C@H](O1)CO)O)O)NC(=O)C)[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O)CO)O[C@@H]([C@@H]([C@H](C=O)O)O)[C@H](O)CO)O