Structure Database (LMSD)

OH H NH O O P HO O O H NH 2
Common Name
CerPE(d14:1(4E)/25:0)
Systematic Name
N-(pentacosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
Synonyms
  • PE-Cer(d14:1/25:0)
LM ID
LMSP03020013
Formula
C41H83N2O6P
Exact Mass
Calculate m/z
730.598876
Sum Composition
CerPE 39:1;O2
Abbrev Chains
CerPE 14:1;O2/25:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PBJQROPNJJQVIY-YJFXYUILSA-N
InChi (Click to copy)
InChI=1S/C41H83N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-41(45)43-39(38-49-50(46,47)48-37-36-42)40(44)34-32-30-28-26-12-10-8-6-4-2/h32,34,39-40,44H,3-31,33,35-38,42H2,1-2H3,(H,43,45)(H,46,47)/b34-32+/t39-,40+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC

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

Other Databases

PubChem CID
70698996

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 0
Aromatic Rings 0
Rotatable Bonds 40
Van der Waals Molecular Volume 807.15
Topological Polar Surface Area 131.11
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 13.21
Molar Refractivity 214.69

Admin

Created at
-
Updated at
26th May 2022