Structure Database (LMSD)

Common Name
Cer(d18:0/h17:0)
Systematic Name
N-(2R-hydroxyheptadecanoyl)-sphinganine
Synonyms
  • Pecipamide
  • N-(2-hydroxyheptadecanoyl)-sphinganine
  • Cer[AdS]
LM ID
LMSP02020019
Formula
C35H71NO4
Exact Mass
Calculate m/z
569.53831
Sum Composition
Cer 35:0;O3
Abbrev Chains
Cer 18:0;O2/h17:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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
Picipes (#1871912)
Agaricomycetes (#155619)
Pecipamide, a new sphingosine derivative from the cultures of Polyporus picipes (Basidiomycetes).,
Lipids, 2010
Pubmed ID: 20422463

String Representations

InChiKey (Click to copy)
SKUYODQAHZTUFS-LBFZIJHGSA-N
InChi (Click to copy)
InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)32(31-37)36-35(40)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,37-39H,3-31H2,1-2H3,(H,36,40)/t32-,33+,34+/m0/s1
SMILES (Click to copy)
C([C@H](NC([C@H](O)CCCCCCCCCCCCCCC)=O)[C@H](O)CCCCCCCCCCCCCCC)O

Other Databases

PubChem CID
22974265

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 657.58
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 10.29
Molar Refractivity 173.68

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Updated at
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