Structure Database (LMSD)

Common Name
CerPE(d14:1(4E)/21:0)
Systematic Name
N-(heneicosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
Synonyms
  • PE-Cer(d14:1/21:0)
LM ID
LMSP03020007
Formula
C37H75N2O6P
Exact Mass
Calculate m/z
674.536276
Sum Composition
CerPE 35:1;O2
Abbrev Chains
CerPE 14:1;O2/21:0
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)
BPYVWEJRFMGSHH-PSALXKTOSA-N
InChi (Click to copy)
InChI=1S/C37H75N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-37(41)39-35(34-45-46(42,43)44-33-32-38)36(40)30-28-26-24-22-12-10-8-6-4-2/h28,30,35-36,40H,3-27,29,31-34,38H2,1-2H3,(H,39,41)(H,42,43)/b30-28+/t35-,36+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC

Other Databases

CHEBI ID
86522
PubChem CID
70698991
SwissLipids ID
SLM:000398490

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 737.95
Topological Polar Surface Area 131.11
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 11.65
Molar Refractivity 196.22

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Created at
-
Updated at
26th May 2022