Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01040002
Common NameC17 Sphingosine
Systematic Nameheptadecasphing-4-enine
Synonyms-
Exact Mass
285.2668 (neutral)    Calculate m/z:
FormulaC17H35NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base homologs and variants [SP0104]
PubChem CID5283557
SWISSLIPIDS IDSLM:000000623
CAYMAN ID10007902
InChIKeyRBEJCQPPFCKTRZ-LHMZYYNSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)16(18)15-19/h13-14,16
-17,19-20H,2-12,15,18H2,1H3/b14-13+/t16-,17+/m0/s1
SMILESOC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCC
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
328.60Topological Polar
Surface Area
66.48Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP4.39Molar
Refractivity
88.18