(Q27135720)

alpha-L-Rha-(1->3)-alpha-D-GlcNAc-1-diphospho-trans,octacis-decaprenol (English)

7 October 2016

chemical formula

C₆₄H₁₀₇NO₁₆P₂

1 reference

alpha-L-Rha-(1->3)-alpha-D-GlcNAc-1-diphospho-trans,octacis-decaprenol (English)

7 October 2016

canonical SMILES

CC1C(C(C(C(O1)OC2C(C(OC(C2O)CO)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)C)NC(=O)C)O)O)O

1 reference

alpha-L-Rha-(1->3)-alpha-D-GlcNAc-1-diphospho-trans,octacis-decaprenol (English)

7 October 2016

isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)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)/CCC=C(C)C)NC(=O)C)O)O)O

1 reference

alpha-L-Rha-(1->3)-alpha-D-GlcNAc-1-diphospho-trans,octacis-decaprenol (English)

InChI=1S/C64H107NO16P2/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-76-82(72,73)81-83(74,75)80-63-57(65-55(13)67)62(59(69)56(43-66)78-63)79-64-61(71)60(70)58(68)54(12)77-64/h23,25,27,29,31,33,35,37,39,41,54,56-64,66,68-71H,14-22,24,26,28,30,32,34,36,38,40,42-43H2,1-13H3,(H,65,67)(H,72,73)(H,74,75)/b45-25+,46-27-,47-29-,48-31-,49-33-,50-35-,51-37-,52-39-,53-41-/t54-,56+,57+,58-,59+,60+,61+,62+,63+,64-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

LTCQFZLIKIMFIG-DRJIPIRHSA-N

2 references

alpha-L-Rha-(1->3)-alpha-D-GlcNAc-1-diphospho-trans,octacis-decaprenol (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Acetamido-1-O-[{[{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deo (English)

7 October 2016

2 references