Structure Database (LMSD)

Common Name
Phytosphingosine
Systematic Name
4R-hydroxysphinganine
Synonyms
  • 4-hydroxysphinganine
LM ID
LMSP01030001
Formula
C18H39NO3
Exact Mass
Calculate m/z
317.292994
Sum Composition
SPB 18:0;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
4-Hydroxysphinganines (Phytosphingosines) [SP0103]

String Representations

InChiKey (Click to copy)
AERBNCYCJBRYDG-KSZLIROESA-N
InChi (Click to copy)
InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)[C@@](O)([H])CCCCCCCCCCCCCC

Other Databases

KEGG ID
C12144
HMDB ID
HMDB0004610
CHEBI ID
46961
PubChem CID
122121
SwissLipids ID
SLM:000000386
Cayman ID
20217

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 357.33
Topological Polar Surface Area 86.71
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 3
logP 4.26
Molar Refractivity 94.80

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Updated at
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