Structure Database (LMSD)
Common Name
Lipid A -disaccharide-1-P
Systematic Name
Lipid A -disaccharide-1-phosphate
Synonyms
3D model of Lipid A -disaccharide-1-P
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
HLDJGHAAKRKPAV-QDORLFPLSA-N
InChi (Click to copy)
InChI=1S/C68H129N2O20P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4)62(68(87-56)90-91(82,83)84)70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2/h51-56,61-68,71-75,80-81H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,82,83,84)/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1
SMILES (Click to copy)
O(P(O)(=O)O)[C@@H]1[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](O)[C@@H](CO[C@H]2[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](O)[C@@H](CO)O2)O1
References
Calculated Physicochemical Properties
Heavy Atoms
91
Rings
2
Aromatic Rings
0
Rotatable Bonds
60
Van der Waals Molecular Volume
1367.31
Topological Polar Surface Area
351.00
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
22
logP
15.68
Molar Refractivity
356.87
Admin
Created at
-
Updated at
22nd Nov 2021