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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01050006
Common NameC16 Sphinganine-1-phosphate
Systematic NameHexadecaphinganine-1-phosphate
Synonyms-
Exact Mass
353.2331 (neutral)    Calculate m/z:
FormulaC16H36NO5P
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base 1-phosphates [SP0105]
AbbrevSPBP 16:0;O2
PubChem CID52931111
InChIKeyCZIKRZNENJXZEE-JKSUJKDBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)15(17)14-22-23(19,20)21/h15-16,18H,2-14,17H2,1H3,(H2,19,20,21)/t15-,16+/m0/s1
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SMILES
OP(OC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCCC)(=O)O
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
360.14Topological Polar
Surface Area
113.01Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP4.68Molar
Refractivity
94.30