2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-alpha-D-glucopyranos (Q27462938)

2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranosyl-(1->2)-Alpha-D-Mannopyranosyl-(1->3)-[alpha-D-Mannopyranosyl-(1->3)-[alpha-D-Mannopyranosyl-(1->6)]-Alpha-D-Mannopyranosyl-(1->6)]-Beta-D-Mannopyranosyl-(1->4)-2-(Acetylamino)-2-Deoxy-Alpha-D-Glucopyranose (English)

19 October 2016

chemical formula

C₄₆H₇₈N₂O₃₆

1 reference

2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranosyl-(1->2)-Alpha-D-Mannopyranosyl-(1->3)-[alpha-D-Mannopyranosyl-(1->3)-[alpha-D-Mannopyranosyl-(1->6)]-Alpha-D-Mannopyranosyl-(1->6)]-Beta-D-Mannopyranosyl-(1->4)-2-(Acetylamino)-2-Deoxy-Alpha-D-Glucopyranose (English)

19 October 2016

canonical SMILES

CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)NC(=O)C)O)O

1 reference

2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranosyl-(1->2)-Alpha-D-Mannopyranosyl-(1->3)-[alpha-D-Mannopyranosyl-(1->3)-[alpha-D-Mannopyranosyl-(1->6)]-Alpha-D-Mannopyranosyl-(1->6)]-Beta-D-Mannopyranosyl-(1->4)-2-(Acetylamino)-2-Deoxy-Alpha-D-Glucopyranose (English)

19 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)O)O

1 reference

2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranosyl-(1->2)-Alpha-D-Mannopyranosyl-(1->3)-[alpha-D-Mannopyranosyl-(1->3)-[alpha-D-Mannopyranosyl-(1->6)]-Alpha-D-Mannopyranosyl-(1->6)]-Beta-D-Mannopyranosyl-(1->4)-2-(Acetylamino)-2-Deoxy-Alpha-D-Glucopyranose (English)

InChI=1S/C46H78N2O36/c1-10(54)47-19-28(63)36(16(7-53)74-40(19)71)81-45-35(70)38(83-46-39(31(66)24(59)15(6-52)78-46)84-41-20(48-11(2)55)27(62)21(56)12(3-49)75-41)26(61)18(80-45)9-73-43-34(69)37(82-44-33(68)30(65)23(58)14(5-51)77-44)25(60)17(79-43)8-72-42-32(67)29(64)22(57)13(4-50)76-42/h12-46,49-53,56-71H,3-9H2,1-2H3,(H,47,54)(H,48,55)/t12-,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+,41+,42+,43+,44-,45+,46-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

WALCJONWGDBPBL-OMCWASJGSA-N

1 reference

2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranosyl-(1->2)-Alpha-D-Mannopyranosyl-(1->3)-[alpha-D-Mannopyranosyl-(1->3)-[alpha-D-Mannopyranosyl-(1->6)]-Alpha-D-Mannopyranosyl-(1->6)]-Beta-D-Mannopyranosyl-(1->4)-2-(Acetylamino)-2-Deoxy-Alpha-D-Glucopyranose (English)

19 October 2016

1 reference

2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4 (English)

19 October 2016

2 references

2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranosyl-(1->2)-Alpha-D-Mannopyranosyl-(1->3)-[alpha-D-Mannopyranosyl-(1->3)-[alpha-D-Mannopyranosyl-(1->6)]-Alpha-D-Mannopyranosyl-(1->6)]-Beta-D-Mannopyranosyl-(1->4)-2-(Acetylamino)-2-Deoxy-Alpha-D-Glucopyranose (English)