Structure Database (LMSD)

Common Name
CerPE(d14:2(4E,6E)/16:0(2OH))
Systematic Name
N-(2-hydroxy-hexadecanoyl)-4E,6E-tetradecasphingadienine-1-phosphoethanolamine
Synonyms
LM ID
LMSP03020066
Formula
C32H63N2O7P
Exact Mass
Calculate m/z
618.437291
Sum Composition
CerPE 30:2;O3
Abbrev Chains
CerPE 14:2;O2/16:0;O
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)
QFGOCOOZMYHLCB-ZAMRVTROSA-N
InChi (Click to copy)
InChI=1S/C32H63N2O7P/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-31(36)32(37)34-29(28-41-42(38,39)40-27-26-33)30(35)24-22-20-18-16-12-10-8-6-4-2/h18,20,22,24,29-31,35-36H,3-17,19,21,23,25-28,33H2,1-2H3,(H,34,37)(H,38,39)/b20-18+,24-22+/t29-,30+,31?/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(C(O)CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC

Other Databases

PubChem CID
70699049

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 657.60
Topological Polar Surface Area 151.34
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 8.73
Molar Refractivity 174.95

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Created at
-
Updated at
26th May 2022