Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01050005
Common NameC16 Sphingosine-1-phosphate
Systematic NameHexadecaphing-4-enine-1-phosphate
Synonyms-
Exact Mass
351.2175 (neutral)    Calculate m/z:
FormulaC16H34NO5P
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base 1-phosphates [SP0105]
PubChem CID52931110
HMDB IDHMDB0060061
CAYMAN ID9002921
InChIKeyIQHNJQKWEMCXAD-YYZTVXDQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H34NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)15(17)14-22-23(19,20)21
/h12-13,15-16,18H,2-11,14,17H2,1H3,(H2,19,20,21)/b13-12+/t15-,16+/m0/s1
SMILESOP(OC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
357.50Topological Polar
Surface Area
113.01Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP4.46Molar
Refractivity
94.20