beta-D-Glc-(1-&gt;4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol (Q27130920)

beta-D-Glcp-(1->4)-alpha-D-Glcp-1-diphospho-ditrans,polycis-undecaprenol (English)

7 October 2016

chemical formula

C₆₇H₁₁₂O₁₇P₂

1 reference

beta-D-Glcp-(1->4)-alpha-D-Glcp-1-diphospho-ditrans,polycis-undecaprenol (English)

7 October 2016

canonical SMILES

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)C)C)C)C)C)C)C)C

1 reference

beta-D-Glcp-(1->4)-alpha-D-Glcp-1-diphospho-ditrans,polycis-undecaprenol (English)

7 October 2016

isomeric SMILES

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

1 reference

beta-D-Glcp-(1->4)-alpha-D-Glcp-1-diphospho-ditrans,polycis-undecaprenol (English)

InChI=1S/C67H112O17P2/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-79-85(75,76)84-86(77,78)83-67-64(74)62(72)65(59(46-69)81-67)82-66-63(73)61(71)60(70)58(45-68)80-66/h23,25,27,29,31,33,35,37,39,41,43,58-74H,13-22,24,26,28,30,32,34,36,38,40,42,44-46H2,1-12H3,(H,75,76)(H,77,78)/b48-25 ,49-27 ,50-29-,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-/t58-,59-,60-,61 ,62-,63-,64-,65-,66 ,67-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

HHYLATBINJGPSB-DJAXFCFISA-N

2 references

beta-D-Glcp-(1->4)-alpha-D-Glcp-1-diphospho-ditrans,polycis-undecaprenol (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-O-beta-D-Glucopyranosyl-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-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}pho (English)

7 October 2016

2 references