Structure Database (LMSD)

Common Name
CerPE(d15:2(4E,6E)/24:0(2OH))
Systematic Name
N-(2-hydroxy-tetracosanoyl)-4E,6E-pentadecasphingadienine-1-phosphoethanolamine
Synonyms
LM ID
LMSP03020079
Formula
C41H81N2O7P
Exact Mass
Calculate m/z
744.578139
Sum Composition
CerPE 39:2;O3
Abbrev Chains
CerPE 15:2;O2/24:0;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Drosophila melanogaster (#7227)
Insecta (#50557)
Biochemical membrane lipidomics during Drosophila development.,
Dev Cell, 2013
Pubmed ID: 23260625

String Representations

InChiKey (Click to copy)
BVCUZDALSYJUDF-CDBZUAFISA-N
InChi (Click to copy)
InChI=1S/C41H81N2O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-40(45)41(46)43-38(37-50-51(47,48)49-36-35-42)39(44)33-31-29-27-25-14-12-10-8-6-4-2/h27,29,31,33,38-40,44-45H,3-26,28,30,32,34-37,42H2,1-2H3,(H,43,46)(H,47,48)/b29-27+,33-31+/t38-,39+,40?/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCC

Other Databases

PubChem CID
70699062

Calculated Physicochemical Properties

Heavy Atoms 51
Rings 0
Aromatic Rings 0
Rotatable Bonds 39
Van der Waals Molecular Volume 813.30
Topological Polar Surface Area 151.34
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 12.24
Molar Refractivity 216.50

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Created at
-
Updated at
26th May 2022