化学式

CAS号

IUPAC Name

N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-乙酰氨基-6-[(2R,3S,4S,5R,6S)-3,5-二羟基-2-(羟甲基)-6-[(2R,3S,4R,5R)-4,5,6-三羟基-2-(羟甲基)四氢吡喃-3-基]oxyoxan-4-基]氧基-4-羟基-2-(羟甲基)四氢吡喃-3-基]氧基-3,5-二羟基-6-(羟甲基)四氢吡喃-4-基]氧基-4-羟基-6-(羟甲基)-5-[(2S,3R,4S,5R,6R)-3,4,5-三羟基- N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(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-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

InChI

InChI=1S/C40H68N2O31/c1-9(49)41-17-22(54)30(69-38-27(59)24(56)19(51)11(3-43)64-38)15(7-47)67-36(17)72-33-20(52)12(4-44)65-39(28(33)60)70-31-16(8-48)68-37(18(23(31)55)42-10(2)50)73-34-21(53)13(5-45)66-40(29(34)61)71-32-14(6-46)63-35(62)26(58)25(32)57/h11-40,43-48,51-62H,3-8H2,1-2H3,(H,41,49)(H,42,50)/t11-,12-,13-,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+/m1/s1

InChI Key

UTVHXMGRNOOVTB-IXBJWXGWSA-N

Canonical SMILES

CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)OC3C(OC(C(C3O)NC(=O)C)OC4C(C(OC(C4O)OC5C(OC(C(C5O)O)O)CO)CO)O)CO)CO)O)CO)OC6C(C(C(C(O6)CO)O)O)O)O

别名

• para-Lacto-N-neohexaose
• CHEBI:62504
• Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc
• beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp
• beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc
• beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose
• beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
• Epitope ID:158549
• Q27131964