Structure Database (LMSD)

Common Name
Spisulosine
Systematic Name
1-deoxy-sphinganine
Synonyms
  • (2S,3R)-2-aminooctadecan-3-ol
  • 2S-amino-octadecan-3R-ol
LM ID
LMSP01080032
Status
Active
Exact Mass
Calculate m/z
285.303164
Formula
C18H39NO
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

String Representations

InChiKey (Click to copy)
YRYJJIXWWQLGGV-ZWKOTPCHSA-N
InChi (Click to copy)
InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/t17-,18+/m0/s1
SMILES (Click to copy)
C[C@H](N)[C@H](O)CCCCCCCCCCCCCCC

References

Other Databases

CHEBI ID
67106
PubChem CID
9925886
SwissLipids ID
SLM:000000210
Cayman ID
13511

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 339.75
Topological Polar Surface Area 46.25
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 1
logP 5.75
Molar Refractivity 90.99

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Created at
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Updated at
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