Structure Database (LMSD)

Common Name
Sphingosine-1-phosphocholine
Systematic Name
Sphing-4-enine-1-phosphocholine
Synonyms
  • SM(d18:1/0:0)
LM ID
LMSP01060001
Formula
C23H49N2O5P
Exact Mass
Calculate m/z
464.337911
Sum Composition
LSM 18:1;O2
Status
Curated
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)
JLVSPVFPBBFMBE-HXSWCURESA-N
InChi (Click to copy)
InChI=1S/C23H49N2O5P/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/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/b18-17+/t22-,23+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

KEGG ID
C03640
CHEBI ID
17689
PubChem CID
9847290
Cayman ID
10007947
GuidePharm ID
4032

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 489.60
Topological Polar Surface Area 104.84
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.57
Molar Refractivity 129.10

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Created at
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Updated at
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