Structure Database (LMSD)

Common Name
4-amino-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate
Systematic Name
4-amino-4-deoxy-1-O-(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)-α-L-arabinopyranose
Synonyms
  • Undecaprenyl phosphate alpha-L-Ara4N
LM ID
LMPR03020005
Formula
C60H100NO7P
Exact Mass
Calculate m/z
977.723742
Status
Active
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)
BAFPKKRTAQMYMS-KIBZDBDJSA-N
InChi (Click to copy)
InChI=1S/C60H100NO7P/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)43-44-67-69(64,65)68-60-59(63)58(62)57(61)45-66-60/h23,25,27,29,31,33,35,37,39,41,43,57-60,62-63H,13-22,24,26,28,30,32,34,36,38,40,42,44-45,61H2,1-12H3,(H,64,65)/b47-25+,48-27+,49-29+,50-31+,51-33+,52-35+,53-37+,54-39+,55-41+,56-43+/t57-,58-,59+,60-/m0/s1
SMILES (Click to copy)
O1[C@H]([C@@H]([C@@H](O)[C@@H](N)C1)O)OP(OC/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)\C)(O)=O

Other Databases

KEGG ID
C16157
CHEBI ID
58711
PubChem CID
17756765

Calculated Physicochemical Properties

Heavy Atoms 69
Rings 1
Aromatic Rings 0
Rotatable Bonds 35
Van der Waals Molecular Volume 1097.52
Topological Polar Surface Area 133.54
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 18.64
Molar Refractivity 298.82

Admin

Created at
-
Updated at
-