Structure Database (LMSD)
Common Name
(4E,8E,10E-d18:3)sphingosine
Systematic Name
sphinga-4E,8E,10E-trienine
Synonyms
LM ID
LMSP01080013
Formula
Exact Mass
Calculate m/z
295.251129
Sum Composition
Status
Curated
3D model of (4E,8E,10E-d18:3)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)
PZVYDNWEQXJZPQ-IYAOGOEGSA-N
InChi (Click to copy)
InChI=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
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/CC/C=C/C=C/CCCCCCC)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
340.62
Topological Polar Surface Area
66.48
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
2
logP
4.33
Molar Refractivity
92.61
Admin
Created at
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Updated at
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