Structure Database (LMSD)
Common Name
Lysine-containing siolipin
Systematic Name
2-((2S)-6-amino-2-(3-hydroxy-14-methylpentadecanamido)hexanoyloxy)ethyl 2-hydroxy-13-methyltetradecanoate
Synonyms
3D model of Lysine-containing siolipin
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)
RAKAWZJMWJKWRH-QRMJXLNNSA-N
InChi (Click to copy)
InChI=1S/C39H76N2O7/c1-32(2)23-17-13-9-5-7-11-15-19-25-34(42)31-37(44)41-35(26-21-22-28-40)38(45)47-29-30-48-39(46)36(43)27-20-16-12-8-6-10-14-18-24-33(3)4/h32-36,42-43H,5-31,40H2,1-4H3,(H,41,44)/t34?,35-,36?/m0/s1
SMILES (Click to copy)
N([C@@]([H])(CCCCN)C(=O)OCCOC(=O)C(O)CCCCCCCCCCC(C)C)C(CC(O)CCCCCCCCCCC(C)C)=O
References
Calculated Physicochemical Properties
Heavy Atoms
48
Rings
0
Aromatic Rings
0
Rotatable Bonds
36
Van der Waals Molecular Volume
758.87
Topological Polar Surface Area
148.18
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
9
logP
9.63
Molar Refractivity
198.41
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Created at
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Updated at
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