Structure Database (LMSD)

Common Name
CerPE(d16:1(4E)/24:0)
Systematic Name
N-(tetracosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine
Synonyms
  • PE-Cer(d16:1/24:0)
LM ID
LMSP03020026
Status
Active
Exact Mass
Calculate m/z
744.614526
Formula
Abbrev
Abbrev Chains
CerPE 16:1;O2/24:0


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
RAHSLHYWSGHUBV-MAJDXUCPSA-N
InChi (Click to copy)
InChI=1S/C42H85N2O6P/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/h33,35,40-41,45H,3-32,34,36-39,43H2,1-2H3,(H,44,46)(H,47,48)/b35-33+/t40-,41+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCC

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
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 51
Rings 0
Aromatic Rings 0
Rotatable Bonds 41
Van der Waals Molecular Volume 824.45
Topological Polar Surface Area 131.11
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 13.60
Molar Refractivity 219.31

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Created at
-
Updated at
26th May 2022