Structure Database (LMSD)

Common Name
iso (4E,13Z,15-methyl-d16:2) sphingosine
Systematic Name
15-methyl-hexadecasphing-4E,13Z-dienine
Synonyms
  • SPH id17:2
LM ID
LMSP01080087
Formula
C17H33NO2
Exact Mass
Calculate m/z
283.251129
Sum Composition
SPB 17:2;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)
MWMVOFZJFJJZJL-HIQVOFEJSA-N
InChi (Click to copy)
InChI=1S/C17H33NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h10-13,15-17,19-20H,3-9,14,18H2,1-2H3/b12-10-,13-11+/t16-,17+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(N)[C@]([H])(O)/C=C/CCCCCCC/C=C\C(C)C

Other Databases

PubChem CID
171117790

Calculated Physicochemical Properties

Heavy Atoms 20
Rings
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 325.96
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 4.02
Molar Refractivity 88.02

Admin

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