Structure Database (LMSD)

Common Name
Roseoceramide E
Systematic Name
N-(undecanoyl)-3-oxo-tetradecasphinganine
Synonyms
LM ID
LMSP02080004
Formula
C26H51NO3
Exact Mass
Calculate m/z
425.386895
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
3-keto Ceramides [SP0208]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Roseobacter (#2433)
Alphaproteobacteria (#28211)
Iron limitation triggers roseoceramide biosynthesis and membrane remodeling in marine roseobacter.,
Proc Natl Acad Sci U S A, 2025
Pubmed ID: 39847340

String Representations

InChiKey (Click to copy)
DJXAYFYLYUAGJU-DEOSSOPVSA-N
InChi (Click to copy)
InChI=1S/C26H51NO3/c1-3-5-7-9-11-13-15-17-19-21-25(29)24(23-28)27-26(30)22-20-18-16-14-12-10-8-6-4-2/h24,28H,3-23H2,1-2H3,(H,27,30)/t24-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCC)=O)C(=O)CCCCCCCCCCC

Calculated Physicochemical Properties

Heavy Atoms 30
Rings
Aromatic Rings
Rotatable Bonds 23
Van der Waals Molecular Volume 490.45
Topological Polar Surface Area 66.40
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 7.45
Molar Refractivity 128.71

Admin

Created at
24th Feb 2025
Updated at
24th Feb 2025