LIPID MAPS

Structure Database (LMSD)

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Common Name

Cer(d14:0/11:0)

Systematic Name

N-(undecanoyl)-tetradecasphinganine

Synonyms

Roseoceramide D

LM ID

LMSP02020076

Formula

C₂₅H₅₁NO₃

Exact Mass

Calculate m/z

413.386895

Sum Composition

Cer 25:0;O2

Abbrev Chains

Cer 14:0;O2/11:0

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Predict MS/MS spectrum ([M-H]-)

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

String Representations

InChiKey (Click to copy)

OBNIWMJTZVMWBY-BJKOFHAPSA-N

InChi (Click to copy)

InChI=1S/C25H51NO3/c1-3-5-7-9-11-13-14-16-18-20-24(28)23(22-27)26-25(29)21-19-17-15-12-10-8-6-4-2/h23-24,27-28H,3-22H2,1-2H3,(H,26,29)/t23-,24+/m0/s1

SMILES (Click to copy)

[C@](CO)([H])(NC(CCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC

Other Databases

PubChem CID

145714663

Calculated Physicochemical Properties

Heavy Atoms 29

Rings

Aromatic Rings

Rotatable Bonds 22

Van der Waals Molecular Volume 475.79

Topological Polar Surface Area 69.56

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 7.13

Molar Refractivity 125.61

Admin

Created at

24th Feb 2025

Updated at