2,3-diacetamido-2,3-dideoxy-beta-D-mannosyl-(1-&gt;3)-N-acetyl-D-fucosaminyl undecaprenyl diphosphate (Q27131891)

beta-D-ManNAc3NAcA-(1->3)-D-FucNAc undecaprenyl diphosphate (English)

7 October 2016

chemical formula

C₇₃H₁₁₉N₃O₁₇P₂

1 reference

beta-D-ManNAc3NAcA-(1->3)-D-FucNAc undecaprenyl diphosphate (English)

7 October 2016

canonical SMILES

CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C)OC2C(C(C(C(O2)C(=O)O)O)NC(=O)C)NC(=O)C)O

1 reference

beta-D-ManNAc3NAcA-(1->3)-D-FucNAc undecaprenyl diphosphate (English)

7 October 2016

isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OP(=O)(O)OP(=O)(O)OC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)NC(=O)C)NC(=O)C)O

1 reference

beta-D-ManNAc3NAcA-(1->3)-D-FucNAc undecaprenyl diphosphate (English)

InChI=1S/C73H119N3O17P2/c1-49(2)27-17-28-50(3)29-18-30-51(4)31-19-32-52(5)33-20-34-53(6)35-21-36-54(7)37-22-38-55(8)39-23-40-56(9)41-24-42-57(10)43-25-44-58(11)45-26-46-59(12)47-48-88-94(84,85)93-95(86,87)92-73-66(76-63(16)79)69(67(80)60(13)89-73)90-72-65(75-62(15)78)64(74-61(14)77)68(81)70(91-72)71(82)83/h27,29,31,33,35,37,39,41,43,45,47,60,64-70,72-73,80-81H,17-26,28,30,32,34,36,38,40,42,44,46,48H2,1-16H3,(H,74,77)(H,75,78)(H,76,79)(H,82,83)(H,84,85)(H,86,87)/b50-29+,51-31+,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-,58-45-,59-47-/t60-,64-,65+,66-,67+,68+,69-,70+,72-,73?/m1/s1

7 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

SHNAHLCSIUJLNH-BLNXMJBZSA-N

2 references

beta-D-ManNAc3NAcA-(1->3)-D-FucNAc undecaprenyl diphosphate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Acetamido-2,6-dideoxy-3-O-(2,3-diacetamido-2,3-dideoxy-beta-D-mannopyranuronosyl)-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14 (English)

7 October 2016

1 reference