Structure Database (LMSD)

Common Name
N,N-dimethylsphingosine
Systematic Name
N,N-dimethylsphing-4-enine
Synonyms
LM ID
LMSP01070001
Status
Active
Exact Mass
Calculate m/z
327.313729
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)
YRXOQXUDKDCXME-YIVRLKKSSA-N
InChi (Click to copy)
InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N(C)C)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 380.50
Topological Polar Surface Area 43.70
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.38
Molar Refractivity 102.30

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Created at
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Updated at
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