Structure database (LMSD)

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LM IDLMSP01080003
Common Name6-hydroxysphingosine
Systematic Name6-hydroxysphing-4E-enine
Synonyms-
Exact Mass
315.2773 (neutral)    Calculate m/z:
FormulaC18H37NO3
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID12991068
CHEBI ID73900
InChIKeyLUZYTSCABOWJAC-HLJNGVMWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(21)13-14-18(22)17(19)15-20/h13-14,16-18,20-22H,2-12,15,19H2,1H3/b14-13+/t16?,17-,18+/m0/s1
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SMILES
C([C@H](N)[C@H](O)/C=C/C(O)CCCCCCCCCCCC)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
354.69Topological Polar
Surface Area
86.71Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
3
 logP4.04Molar
Refractivity
94.70