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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01050004
Common NameC19 Sphingosine-1-phosphate
Systematic NameNonadecaphing-4-enine-1-phosphate
Synonyms-
Exact Mass
393.2644 (neutral)    Calculate m/z:
FormulaC19H40NO5P
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base 1-phosphates [SP0105]
AbbrevSPBP 19:1;O2
PubChem CID52931109
InChIKeyZWOGUYCCVIDLTK-OVMWUVNSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)18(20)17-25-26(22,23)24/h15-16,18-19,21H,2-14,17,20H2,1H3,(H2,22,23,24)/b16-15+/t18-,19+/m0/s1
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SMILES
OP(OC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
409.40Topological Polar
Surface Area
113.01Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP5.63Molar
Refractivity
108.05