Structure Database (LMSD)

Common Name
Cer(d18:0/19:0)
Systematic Name
N-(nonadecanoyl)-sphinganine
Synonyms
  • N-(nonadecanoyl)-dihydroceramide
  • Cer[NDS]
LM ID
LMSP02020054
Formula
C37H75NO3
Exact Mass
Calculate m/z
581.574694
Sum Composition
Cer 37:0;O2
Abbrev Chains
Cer 18:0;O2/19:0
Status
Active
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]

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Comparative profiling and comprehensive quantification of stratum corneum ceramides in humans and mice by LC/MS/MS.,
J Lipid Res, 2020
Pubmed ID: 32265320

String Representations

InChiKey (Click to copy)
ZNVQCANCZXMJOJ-MPQUPPDSSA-N
InChi (Click to copy)
InChI=1S/C37H75NO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-37(41)38-35(34-39)36(40)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,38,41)/t35-,36+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
15511091
SwissLipids ID
SLM:000395573

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 683.39
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 11.81
Molar Refractivity 181.01

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Created at
27th Apr 2020
Updated at
27th Apr 2020