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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01050002
Common NameSphinganine-phosphate
Systematic NameSphinganine-1-phosphate
SynonymsDihydrosphingosine phosphate
Exact Mass
381.2644 (neutral)    Calculate m/z:
FormulaC18H40NO5P
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base 1-phosphates [SP0105]
AbbrevSPBP 18:0;O2
PubChem CID644260
KEGG IDC01120
HMDB IDHMDB0001383
CHEBI ID16893
SWISSLIPIDS IDSLM:000000119
CAYMAN ID22500
InChIKeyYHEDRJPUIRMZMP-ZWKOTPCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H40NO5P/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/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1
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SMILES
[C@](COP(=O)(O)O)([H])(N)[C@]([H])(O)CCCCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
394.74Topological Polar
Surface Area
113.01Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP5.46Molar
Refractivity
103.53