Lacto-N-Neotetraose
[CAS# 13007-32-4]

Identification

• Name: Lacto-N-Neotetraose
• Synonyms: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-Trihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-4-Yl]Oxy-5-Hydroxy-6-(Hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Acetamide; N-[(2S,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-[[(2R,3S,4R,5R,6R)-4,5,6-Trihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-4-Tetrahydropyranyl]Oxy]-5-Hydroxy-6-(Hydroxymethyl)-4-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl]Acetamide; N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-Methylol-6-[(2R,3S,4R,5R,6R)-4,5,6-Trihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-4-Yl]Oxy-5-Hydroxy-6-Methylol-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₂₆H₄₅NO₂₁
• Molecular Weight: 707.64
• CAS Registry Number: 13007-32-4
• SMILES: [C@@H]2(NC(=O)C)[C@@H](O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H](O)[C@H](O[C@H]2O[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]4CO)O)CO
• InChI: 1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23-,24+,25+,26+/m1/s1
• InChIKey: AXQLFFDZXPOFPO-UNTPKZLMSA-N