LIPID MAPS

Structure Database (LMSD)

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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

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

DOI: 10.1073/pnas.2414434122

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

Other Databases

PubChem CID

178330879

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