Structure database (LMSD)

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LM IDLMSP01020003
Common NameIsoheptadecasphinganine
Systematic Name15-Methylhexadecasphinganine
Synonyms-
Exact Mass
287.2824 (neutral)    Calculate m/z:
FormulaC17H37NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphinganines [SP0102]
AbbrevSPB 17:0;O2
PubChem CID70679000
CHEBI ID70852
CAYMAN ID36503
InChIKeyVFYHIOGWELBGIK-DLBZAZTESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H37NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h15-17,19-20H,3-14,18H2,1-2H3/t16-,17+/m0/s1
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SMILES
OC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCC(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20RingsAromatic RingsRotatable Bonds14
 van der Waals
Molecular Volume
331.24Topological Polar
Surface Area
66.48Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP4.47Molar
Refractivity
88.21