Structure database (LMSD)

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LM IDLMPR03030010
Common Nameα-D-galactosyl undecaprenyl diphosphate
Systematic Name1-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
Synonymsα-D-Galactosyl-diphosphoundecaprenol; α-D-galactosyl-diphosphoundecaprenol
Exact Mass
1088.6847 (neutral)    Calculate m/z:
FormulaC61H102O12P2
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenol diphosphates [PR0303]
PubChem CID5280693
KEGG IDC04507
CHEBI ID16046
InChIKeyWADQQVAMGZIDFQ-NOHJVBJWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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)71-6
1/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,4
4-45H2,1-12H3,(H,66,67)(H,68,69)/b47-25+,48-27+,49-29+,50-31+,51-33+,52-35+,53-3
7+,54-39+,55-41+,56-43+/t57-,58+,59+,60-,61-/m1/s1
SMILESO(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
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms75Rings1Aromatic Rings0Rotatable Bonds38
 van der Waals
Molecular Volume
1167.60Topological Polar
Surface Area
194.51Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
12
 logP18.61Molar
Refractivity
314.15