Structure Database (LMSD)

Common Name
Cer(d14:0/14:0)
Systematic Name
N-(tetradecanoyl)-tetradecasphinganine
Synonyms
  • Roseoceramide H
LM ID
LMSP02020078
Formula
C28H57NO3
Exact Mass
Calculate m/z
455.433845
Sum Composition
Cer 28:0;O2
Abbrev Chains
Cer 14:0;O2/14:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
Predict MS/MS spectrum ([M-H]-)

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]

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)
KLBQTAJWYPPMOQ-RRPNLBNLSA-N
InChi (Click to copy)
InChI=1S/C28H57NO3/c1-3-5-7-9-11-13-14-16-18-20-22-24-28(32)29-26(25-30)27(31)23-21-19-17-15-12-10-8-6-4-2/h26-27,30-31H,3-25H2,1-2H3,(H,29,32)/t26-,27+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC

Other Databases

PubChem CID
134744193
SwissLipids ID
SLM:000397224

Calculated Physicochemical Properties

Heavy Atoms 32
Rings
Aromatic Rings
Rotatable Bonds 25
Van der Waals Molecular Volume 527.69
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 8.30
Molar Refractivity 139.46

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