Structure Database (LMSD)

Common Name
CerPE(d15:2(4E,6E)/18:0(2OH))
Systematic Name
N-(2-hydroxy-octadecanoyl)-4E,6E-pentadecasphingadienine-1-phosphoethanolamine
Synonyms
LM ID
LMSP03020076
Formula
C35H69N2O7P
Exact Mass
Calculate m/z
660.484239
Sum Composition
CerPE 33:2;O3
Abbrev Chains
CerPE 15:2;O2/18:0;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)
IWXIRCFOOPOFIG-KECPBDOHSA-N
InChi (Click to copy)
InChI=1S/C35H69N2O7P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-34(39)35(40)37-32(31-44-45(41,42)43-30-29-36)33(38)27-25-23-21-19-14-12-10-8-6-4-2/h21,23,25,27,32-34,38-39H,3-20,22,24,26,28-31,36H2,1-2H3,(H,37,40)(H,41,42)/b23-21+,27-25+/t32-,33+,34?/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(C(O)CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCC

Other Databases

PubChem CID
70699059

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 709.50
Topological Polar Surface Area 151.34
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 9.90
Molar Refractivity 188.80

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Created at
-
Updated at
26th May 2022