N-acetyl-D-fucosaminyl undecaprenyl diphosphate(2-) (Q27131719)

N-acetyl-D-fucosaminyl undecaprenyl diphosphate (English)

7 October 2016

chemical formula

C₆₃H₁₀₃NO₁₁P₂²⁻

1 reference

based on heuristic

inferred from SMILES

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)O)O

1 reference

N-acetyl-D-fucosaminyl 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)O

1 reference

N-acetyl-D-fucosaminyl undecaprenyl diphosphate (English)

InChI=1S/C63H105NO11P2/c1-47(2)25-15-26-48(3)27-16-28-49(4)29-17-30-50(5)31-18-32-51(6)33-19-34-52(7)35-20-36-53(8)37-21-38-54(9)39-22-40-55(10)41-23-42-56(11)43-24-44-57(12)45-46-72-76(68,69)75-77(70,71)74-63-60(64-59(14)65)62(67)61(66)58(13)73-63/h25,27,29,31,33,35,37,39,41,43,45,58,60-63,66-67H,15-24,26,28,30,32,34,36,38,40,42,44,46H2,1-14H3,(H,64,65)(H,68,69)(H,70,71)/p-2/b48-27+,49-29+,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-,57-45-/t58-,60-,61+,62-,63?/m1/s1

7 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

PTRCKQFHHUDBPZ-YOZHXUPDSA-L

2 references

N-acetyl-D-fucosaminyl undecaprenyl diphosphate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Acetamido-2,6-dideoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphinato)oxy]pho (English)

7 October 2016

1 reference