Structure Database (LMSD)

Common Name
CerPE(d15:1(4E)/20:0(2OH))
Systematic Name
N-(2-hydroxy-eicosanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine
Synonyms
LM ID
LMSP03020074
Formula
C37H75N2O7P
Exact Mass
Calculate m/z
690.531191
Sum Composition
CerPE 35:1;O3
Abbrev Chains
CerPE 15:1;O2/20:0;O
Status
Active
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)
DZWVIWJJOGWXCC-ZVZQOESYSA-N
InChi (Click to copy)
InChI=1S/C37H75N2O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-36(41)37(42)39-34(33-46-47(43,44)45-32-31-38)35(40)29-27-25-23-21-14-12-10-8-6-4-2/h27,29,34-36,40-41H,3-26,28,30-33,38H2,1-2H3,(H,39,42)(H,43,44)/b29-27+/t34-,35+,36?/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(C(O)CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCC

Other Databases

CHEBI ID
186382
PubChem CID
70699057

Calculated Physicochemical Properties

Heavy Atoms 47
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 746.74
Topological Polar Surface Area 151.34
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 10.91
Molar Refractivity 198.13

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Created at
-
Updated at
26th May 2022