Structure database (LMSD)

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LM IDLMSP01080013
Common Name(4E,8E,10E-d18:3)sphingosine
Systematic Namesphinga-4E,8E,10E-trienine
Synonyms-
Exact Mass
295.2511 (neutral)    Calculate m/z:
FormulaC18H33NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608349
InChIKeyPZVYDNWEQXJZPQ-IYAOGOEGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h8-11,
14-15,17-18,20-21H,2-7,12-13,16,19H2,1H3/b9-8+,11-10+,15-14+/t17-,18+/m0/s1
SMILESC([C@H](N)[C@H](O)/C=C/CC/C=C/C=C/CCCCCCC)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
340.62Topological Polar
Surface Area
66.48Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP4.33Molar
Refractivity
92.61