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
Status
Active
Exact Mass
Calculate m/z
309.266779
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

Other Databases

CHEBI ID
PubChem CID

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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