Structure Database (LMSD)
Common Name
Sphinganine-1-phosphocholine
Systematic Name
Sphinganine-1-phosphocholine
Synonyms
- SM(d18:0/0:0)
3D model of Sphinganine-1-phosphocholine
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)
GSEOJHIBPQRSNH-XZOQPEGZSA-N
InChi (Click to copy)
InChI=1S/C23H51N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h22-23,26H,5-21,24H2,1-4H3/t22-,23+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(N)[C@]([H])(O)CCCCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
0
Aromatic Rings
0
Rotatable Bonds
22
Van der Waals Molecular Volume
492.24
Topological Polar Surface Area
104.84
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
5.79
Molar Refractivity
129.20
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Created at
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Updated at
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