Structure Database (LMSD)
Common Name
(9Me,4E,8E,10E-d19:3)sphingosine
Systematic Name
9-methyl-sphinga-4E,8E,10E-trienine
Synonyms
LM ID
LMSP01080014
Formula
Exact Mass
Calculate m/z
309.266779
Sum Composition
Status
Active
3D model of (9Me,4E,8E,10E-d19:3)sphingosine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YWSMQDAGCQEIIC-SNNCSWOYSA-N
InChi (Click to copy)
InChI=1S/C19H35NO2/c1-3-4-5-6-7-8-10-13-17(2)14-11-9-12-15-19(22)18(20)16-21/h10,12-15,18-19,21-22H,3-9,11,16,20H2,1-2H3/b13-10+,15-12+,17-14+/t18-,19+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/CC/C=C(\C)/C=C/CCCCCCC)O
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
357.92
Topological Polar Surface Area
66.48
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
2
logP
4.72
Molar Refractivity
97.23
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Created at
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Updated at
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