Structure Database (LMSD)

Common Name
Sphinganine-1-phosphocholine
Systematic Name
Sphinganine-1-phosphocholine
Synonyms
  • SM(d18:0/0:0)
  • Lysodihydrosphingomyelin (d18:0)
LM ID
LMSP01060002
Formula
C23H51N2O5P
Exact Mass
Calculate m/z
466.353561
Sum Composition
LSM 18:0;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Lysosphingomyelins and lysoglycosphingolipids [SP0106]

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

Other Databases

HMDB ID
HMDB0012082
CHEBI ID
132478
PubChem CID
44260122
Cayman ID
24463

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 7
logP 5.79
Molar Refractivity 129.20

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Created at
-
Updated at
13th Nov 2024