Structure database (LMSD)

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LM IDLMPR03020002
Common NameUndecaprenyl phosphate mannose
Systematic Nameα-mannosyl-undecaprenyl phosphate
Synonyms-
Exact Mass
1008.7183 (neutral)    Calculate m/z:
FormulaC61H101O9P
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenol monophosphates [PR0302]
PubChem CID5283549
InChIKeyIGWCSVFNNDSUBK-VBISOOTPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C61H101O9P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-5
0(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)41-2
2-42-56(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-
SMILESC/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
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms71Rings1Aromatic Rings0Rotatable Bonds36
 van der Waals
Molecular Volume
1121.40Topological Polar
Surface Area
147.98Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
9
 logP18.32Molar
Refractivity
303.37