Structure Database (LMSD)
Common Name
GlcNalpha1-6Ins-1-P-Cer(t18:0/26:0)
Systematic Name
N-(hexacosanoyl)-4R-hydroxysphinganine-1-phospho-(1'-[2-amino-2-deoxy-D-glucopyranosyl-α1-6-D-myo-inositol])
Synonyms
- 2-amino-2-deoxy-D-glucopyranosyl-alpha1-6-1-[N-(hexacosanoyl)-4R-hydroxysphinganine-1-phospho]-D-myo-inositol
No other lipid differing only in stereochemistry/bond geometry found
3D model of GlcNalpha1-6Ins-1-P-Cer(t18:0/26:0)
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)
BVVNBIOUOQOXDS-PEWYKOARSA-N
InChi (Click to copy)
InChI=1S/C56H111N2O16P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(61)58-42(47(62)43(60)38-36-34-32-30-28-16-14-12-10-8-6-4-2)41-71-75(69,70)74-55-53(68)51(66)50(65)52(67)54(55)73-56-46(57)49(64)48(63)44(40-59)72-56/h42-44,46-56,59-60,62-68H,3-41,57H2,1-2H3,(H,58,61)(H,69,70)/t42-,43+,44+,46+,47-,48+,49+,50+,51+,52-,53+,54+,55+,56-/m0/s1
SMILES (Click to copy)
O(P(=O)(O)O[C@H]1[C@H](O[C@H]2[C@H](N)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)C[C@]([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@@](O)([H])CCCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
75
Rings
2
Aromatic Rings
0
Rotatable Bonds
48
Van der Waals Molecular Volume
1132.47
Topological Polar Surface Area
313.48
Hydrogen Bond Donors
12
Hydrogen Bond Acceptors
18
logP
12.53
Molar Refractivity
299.42
Admin
Created at
-
Updated at
26th Jul 2021