Structure Database (LMSD)

Common Name
iso (13-methyl-d14:0) sphinganine
Systematic Name
13-methyl-tetradecasphinganine
Synonyms
  • SPH id15:0
LM ID
LMSP01080088
Formula
C15H33NO2
Exact Mass
Calculate m/z
259.251129
Sum Composition
SPB 15:0;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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)
WHCSHOZZRZZFDF-LSDHHAIUSA-N
InChi (Click to copy)
InChI=1S/C15H33NO2/c1-13(2)10-8-6-4-3-5-7-9-11-15(18)14(16)12-17/h13-15,17-18H,3-12,16H2,1-2H3/t14-,15+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(N)[C@]([H])(O)CCCCCCCCCC(C)C

Other Databases

PubChem CID
171117791

Calculated Physicochemical Properties

Heavy Atoms 18
Rings
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 296.64
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 3.69
Molar Refractivity 78.97

Admin

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