Structure Database (LMSD)
Common Name
alpha-D-galactosyl undecaprenyl diphosphate
Systematic Name
1-O-{hydroxy[(hydroxy{[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-α-D-galactopyranose
Synonyms
- alpha-D-Galactosyl-diphosphoundecaprenol
- alpha-D-galactosyl-diphosphoundecaprenol
3D model of alpha-D-galactosyl undecaprenyl diphosphate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WADQQVAMGZIDFQ-NOHJVBJWSA-N
InChi (Click to copy)
InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)(H,68,69)/b47-25+,48-27+,49-29+,50-31+,51-33+,52-35+,53-37+,54-39+,55-41+,56-43+/t57-,58+,59+,60-,61-/m1/s1
SMILES (Click to copy)
O(P(=O)(O)OP(=O)(O)O[C@@H]1[C@H](O)[C@H]([C@@H](O)[C@@H](CO)O1)O)C/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(/CC/C=C(/C)\C)\C
References
Calculated Physicochemical Properties
Heavy Atoms
75
Rings
1
Aromatic Rings
0
Rotatable Bonds
38
Van der Waals Molecular Volume
1167.60
Topological Polar Surface Area
194.51
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
12
logP
18.61
Molar Refractivity
314.15
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Updated at
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