Structure Database (LMSD)
Common Name
Undecaprenyl phosphate mannose
Systematic Name
α-mannosyl-undecaprenyl phosphate
Synonyms
3D model of Undecaprenyl phosphate mannose
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)
IGWCSVFNNDSUBK-VBISOOTPSA-N
InChi (Click to copy)
InChI=1S/C61H101O9P/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)43-44-68-71(66,67)70-61-60(65)59(64)58(63)57(45-62)69-61/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)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-
SMILES (Click to copy)
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)=C\CC/C(/C)=C\COP(O)(=O)OC1C(O)C(C(O)C(CO)O1)O
References
Calculated Physicochemical Properties
Heavy Atoms
71
Rings
1
Aromatic Rings
0
Rotatable Bonds
36
Van der Waals Molecular Volume
1121.40
Topological Polar Surface Area
147.98
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
9
logP
18.32
Molar Refractivity
303.37
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Created at
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Updated at
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