Structure Database (LMSD)

Common Name
CerPE(d16:1(4E)/24:1(15Z))
Systematic Name
N-(15Z-tetracosenoyl)-hexadecasphing-4-enine-1-phosphoethanolamine
Synonyms
  • PE-Cer(d16:1/24:1(15Z))
LM ID
LMSP03020028
Formula
C42H83N2O6P
Exact Mass
Calculate m/z
742.598876
Sum Composition
CerPE 40:2;O2
Abbrev Chains
CerPE 16:1;O2/24:1
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)
OWLFZZDSKIGRMW-GXCULFSQSA-N
InChi (Click to copy)
InChI=1S/C42H83N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-42(46)44-40(39-50-51(47,48)49-38-37-43)41(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h16-17,33,35,40-41,45H,3-15,18-32,34,36-39,43H2,1-2H3,(H,44,46)(H,47,48)/b17-16-,35-33+/t40-,41+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCC

Other Databases

PubChem CID
70699011
SwissLipids ID
SLM:000398607

Calculated Physicochemical Properties

Heavy Atoms 51
Rings 0
Aromatic Rings 0
Rotatable Bonds 40
Van der Waals Molecular Volume 821.81
Topological Polar Surface Area 131.11
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 13.38
Molar Refractivity 219.22

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Created at
-
Updated at
26th May 2022