Structure Database (LMSD)

Common Name
CerPE(d14:2(4E,6E)/16:0)
Systematic Name
N-(hexadecanoyl)-4E,6E-tetradecasphingadienine-1-phosphoethanolamine
Synonyms
LM ID
LMSP03020029
Formula
C32H63N2O6P
Exact Mass
Calculate m/z
602.442376
Sum Composition
CerPE 30:2;O2
Abbrev Chains
CerPE 14:2;O2/16:0
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)
BIILKPXCGAIUCO-NXSGTHGASA-N
InChi (Click to copy)
InChI=1S/C32H63N2O6P/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-32(36)34-30(29-40-41(37,38)39-28-27-33)31(35)25-23-21-19-17-12-10-8-6-4-2/h19,21,23,25,30-31,35H,3-18,20,22,24,26-29,33H2,1-2H3,(H,34,36)(H,37,38)/b21-19+,25-23+/t30-,31+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC

Other Databases

PubChem CID
70699012

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 648.81
Topological Polar Surface Area 131.11
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 9.48
Molar Refractivity 173.05

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Created at
-
Updated at
26th May 2022