Structure Database (LMSD)

H H 2 N H OH OH
Common Name
C16 Sphingosine
Systematic Name
Hexadecasphing-4E-enine
Synonyms
  • Hexadecasphingosine
LM ID
LMSP01040008
Formula
C16H33NO2
Exact Mass
Calculate m/z
271.251129
Sum Composition
SPB 16:1;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base homologs and variants [SP0104]

String Representations

InChiKey (Click to copy)
BTUSGZZCQZACPT-YYZTVXDQSA-N
InChi (Click to copy)
InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h12-13,15-16,18-19H,2-11,14,17H2,1H3/b13-12+/t15-,16+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCC

References

Other Databases

CHEBI ID
71052
PubChem CID
14767871
Cayman ID
22356

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 311.30
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP 4.00
Molar Refractivity 83.57

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Updated at
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