Structure database (LMSD)

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LM IDLMSP01040001
Common NameC16 Sphinganine
Systematic Namehexadecasphinganine
Synonyms-
Exact Mass
273.2668 (neutral)    Calculate m/z:
FormulaC16H35NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base homologs and variants [SP0104]
PubChem CID656816
SWISSLIPIDS IDSLM:000389783
InChIKeyZKLREJQHRKUJHD-JKSUJKDBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h15-16,18-19
H,2-14,17H2,1H3/t15-,16+/m0/s1
SMILESOC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
313.94Topological Polar
Surface Area
66.48Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP4.23Molar
Refractivity
83.66