Structure database (LMSD)

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LM IDLMPR03020004
Common NameDodecaprenyl phosphate-galacturonic acid
Systematic Name-
Synonyms-
Exact Mass
1090.7602 (neutral)    Calculate m/z:
FormulaC66H107O10P
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenol monophosphates [PR0302]
PubChem Compound ID (CID)24779569
InChIKeyKNRKMSRCMYRVRK-UPDNUGROSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C66H107O10P/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-
53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-
23-44-59(12)45-24-46-60(13)47-48-74-77(72,73)76-66-63(69)61(67)62(68)64(75-66)65
(70)71/h25,27,29,31,33,35,37,39,41,43,45,47,61-64,66-69H,14-24,26,28,30,32,34,36
,38,40,42,44,46,48H2,1-13H3,(H,70,71)(H,72,73)/b50-27+,51-29+,52-31-,53-33-,54-3
5-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61?,62-,63?,64?,66+/m1/s1
SMILES-
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms77Rings1Aromatic Rings0Rotatable Bonds39
 van der Waals
Molecular Volume
1211.41Topological Polar
Surface Area
165.05Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
10
 logP19.86Molar
Refractivity
326.42    
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