Structure Database (LMSD)

Common Name
17-methyl-phytosphingosine
Systematic Name
17-methyl-4R-hydroxysphinganine
Synonyms
  • (2S,3S,4R)-2-Amino-17-methyl-1,3,4-octadecanetriol
LM ID
LMSP01030005
Formula
C19H41NO3
Exact Mass
Calculate m/z
331.308644
Sum Composition
SPB 19:0;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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Caenorhabditis elegans (#6239)
Chromadorea (#119089)
In-Depth Characterization of Sphingoid Bases via Radical-Directed Dissociation Tandem Mass Spectrometry.,
J Am Soc Mass Spectrom, 2023
Pubmed ID: 37735971

String Representations

InChiKey (Click to copy)
QIGBCLIZFAYGQW-OTWHNJEPSA-N
InChi (Click to copy)
InChI=1S/C19H41NO3/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(22)19(23)17(20)15-21/h16-19,21-23H,3-15,20H2,1-2H3/t17-,18+,19-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)[C@@](O)([H])CCCCCCCCCCCCC(C)C

Other Databases

PubChem CID
100993963

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 374.63
Topological Polar Surface Area 86.71
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 4.51
Molar Refractivity 99.34

Admin

Created at
30th Oct 2023
Updated at
30th Oct 2023