LIPID MAPS

Structure Database (LMSD)

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Common Name

Cer(d14:0/9:0)

Systematic Name

N-(nonanoyl)-tetradecasphinganine

Synonyms

Roseoceramide B

LM ID

LMSP02020074

Formula

C₂₃H₄₇NO₃

Exact Mass

Calculate m/z

385.355595

Sum Composition

Cer 23:0;O2

Abbrev Chains

Cer 14:0;O2/9:0

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)

AIMBBOXQTGBPJP-FCHUYYIVSA-N

InChi (Click to copy)

InChI=1S/C23H47NO3/c1-3-5-7-9-11-12-13-14-16-18-22(26)21(20-25)24-23(27)19-17-15-10-8-6-4-2/h21-22,25-26H,3-20H2,1-2H3,(H,24,27)/t21-,22+/m0/s1

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 27

Rings

Aromatic Rings

Rotatable Bonds 20

Van der Waals Molecular Volume 441.19

Topological Polar Surface Area 69.56

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 6.35

Molar Refractivity 116.37

Admin

Created at

24th Feb 2025

Updated at