Structure Database (LMSD)

Common Name
Undecaprenyl phosphate mannose
Systematic Name
α-mannosyl-undecaprenyl phosphate
Synonyms
LM ID
LMPR03020002
Formula
C61H101O9P
Exact Mass
Calculate m/z
1008.718322
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Polyprenols [PR03]
Bactoprenol monophosphates [PR0302]

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

Other Databases

PubChem CID
5283549

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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Updated at
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