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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01050007
Common NameC17 Sphingosine-1-phosphate
Systematic Nameheptadecasphing-4-enine-1-phosphate
Synonyms(2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate
Exact Mass
365.2331 (neutral)    Calculate m/z:
FormulaC17H36NO5P
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base 1-phosphates [SP0105]
AbbrevSPBP 17:1;O2
PubChem CID5283559
CAYMAN ID22498
InChIKeyVITGNIYTXHNNNE-LHMZYYNSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)16(18)15-23-24(20,21)22/h13-14,16-17,19H,2-12,15,18H2,1H3,(H2,20,21,22)/b14-13+/t16-,17+/m0/s1
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SMILES
P(OC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCC)(=O)(O)O
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MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
374.80Topological Polar
Surface Area
113.01Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP4.85Molar
Refractivity
98.82