Structure Database (LMSD)

Common Name
undecaprenol
Systematic Name
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42-undecaen-1-ol
Synonyms
  • Undecaprenol
LM ID
LMPR03010007
Formula
C55H90O
Exact Mass
Calculate m/z
766.699165
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Polyprenols [PR03]
Bactoprenols [PR0301]

String Representations

InChiKey (Click to copy)
TXKJNHBRVLCYFX-RDQGWRCRSA-N
InChi (Click to copy)
InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+
SMILES (Click to copy)
C(/CC/C(/C)=C/CC/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/CO)/C)=C(\C)/C

Other Databases

KEGG ID
C01968
CHEBI ID
16591
PubChem CID
5280474

Calculated Physicochemical Properties

Heavy Atoms 56
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 939.81
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 18.49
Molar Refractivity 256.92

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Created at
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Updated at
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