CAS RN | 14116-68-8 |
Product Name | 乳糖-N-四糖(LNT) Lacto-N-tetraose |
Molecular Formula | C26H45NO21 |
Molecular Weight | 707.6 g/mol |
IUPAC Name | N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide |
InChI | 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 |
InChI Key | AXQLFFDZXPOFPO-FSGZUBPKSA-N |
Isomeric SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O |
SMILES | CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)OC3C(OC(C(C3O)O)O)CO)CO)O)CO)O)OC4C(C(C(C(O4)CO)O)O)O |
Canonical SMILES | CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)OC3C(OC(C(C3O)O)O)CO)CO)O)CO)O)OC4C(C(C(C(O4)CO)O)O)O |
Other CAS RN | 14116-68-8 |
Physical Description | Solid |
Synonyms | lacto-N-neotetraose lacto-N-tetraose LNnT N-neotetraose |