LIPID MAPS

Structure Database (LMSD)

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Common Name

Cer(d14:0/13:0)

Systematic Name

N-(tridecanoyl)-tetradecasphinganine

Synonyms

Roseoceramide G

LM ID

LMSP02020077

Formula

C₂₇H₅₅NO₃

Exact Mass

Calculate m/z

441.418195

Sum Composition

Cer 27:0;O2

Abbrev Chains

Cer 14:0;O2/13:0

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)

NNBMGBCEEBITHU-IZZNHLLZSA-N

InChi (Click to copy)

InChI=1S/C27H55NO3/c1-3-5-7-9-11-13-15-17-19-21-23-27(31)28-25(24-29)26(30)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24H2,1-2H3,(H,28,31)/t25-,26+/m0/s1

SMILES (Click to copy)

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

Other Databases

PubChem CID

134752927

SwissLipids ID

SLM:000397226

Calculated Physicochemical Properties

Heavy Atoms 31

Rings

Aromatic Rings

Rotatable Bonds 24

Van der Waals Molecular Volume 510.39

Topological Polar Surface Area 69.56

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 7.91

Molar Refractivity 134.84

Admin

Created at

24th Feb 2025

Updated at