Structure Database (LMSD)

Common Name
CerPE(d15:2(4E,6E)/24:0)
Systematic Name
N-(tetracosanoyl)-4E,6E-pentadecasphingadienine-1-phosphoethanolamine
Synonyms
LM ID
LMSP03020046
Status
Active
Exact Mass
Calculate m/z
728.583226
Formula
C41H81N2O6P
Abbrev
CerPE 39:2;O2
Abbrev Chains
CerPE 15:2;O2/24:0
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

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

String Representations

InChiKey (Click to copy)
LPHRWLUYWAIZCU-ORRFTQGBSA-N
InChi (Click to copy)
InChI=1S/C41H81N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-41(45)43-39(38-49-50(46,47)48-37-36-42)40(44)34-32-30-28-26-14-12-10-8-6-4-2/h28,30,32,34,39-40,44H,3-27,29,31,33,35-38,42H2,1-2H3,(H,43,45)(H,46,47)/b30-28+,34-32+/t39-,40+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCC

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
70699029

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 0
Aromatic Rings 0
Rotatable Bonds 39
Van der Waals Molecular Volume 804.51
Topological Polar Surface Area 131.11
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 12.99
Molar Refractivity 214.60

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Created at
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Updated at
26th May 2022