Structure Database (LMSD)
Common Name
C14 sphingosine
Systematic Name
tetradecasphing-4E-enine
Synonyms
- (4E,d14:1) sphingosine
LM ID
LMSP01040006
Formula
Exact Mass
Calculate m/z
243.219829
Sum Composition
Status
Curated
3D model of C14 sphingosine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VDRZDTXJMRRVMF-NXFSIWHZSA-N
InChi (Click to copy)
InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h10-11,13-14,16-17H,2-9,12,15H2,1H3/b11-10+/t13-,14+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/CCCCCCCCC)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
276.70
Topological Polar Surface Area
66.48
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
2
logP
3.22
Molar Refractivity
74.33
Admin
Created at
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Updated at
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