Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01050001
Common NameSphingosine-1-phosphate (W)
Systematic NameSphing-4-enine-1-phosphate
Synonyms-
Exact Mass
379.2488 (neutral)    Calculate m/z:
FormulaC18H38NO5P
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base 1-phosphates [SP0105]
PubChem Compound ID (CID)5283560
KEGG IDC06124
HMDB IDHMDB00277
CHEBI ID37550
InChIKeyDUYSYHSSBDVJSM-KRWOKUGFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21
,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(O)(O)=O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
392.10Topological Polar
Surface Area
113.01Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP5.24Molar
Refractivity
103.44    
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