Structure database (LMSD)

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LM IDLMSP01080006
Common Nameanteiso (4E,14-methyl-d16:1) sphingosine
Systematic Name14-methyl-hexadecasphing-4E-enine
Synonyms14-methyl-hexadecasphingosine
Exact Mass
285.2668 (neutral)    Calculate m/z:
FormulaC17H35NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
AbbrevSPB 17:1;O2
PubChem CID42608346
CHEBI ID83988
InChIKeyNJVGCHGRFMZTKV-KLVHAFEJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H35NO2/c1-3-15(2)12-10-8-6-4-5-7-9-11-13-17(20)16(18)14-19/h11,13,15-17,19-20H,3-10,12,14,18H2,1-2H3/b13-11+/t15?,16-,17+/m0/s1
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SMILES
C([C@H](N)[C@H](O)/C=C/CCCCCCCCC(C)CC)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
328.60Topological Polar
Surface Area
66.48Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP4.25Molar
Refractivity
88.11