Structure Database (LMSD)

Common Name
CerPE(d15:2(4E,6E)/18:0)
Systematic Name
N-(octadecanoyl)-4E,6E-pentadecasphingadienine-1-phosphoethanolamine
Synonyms
LM ID
LMSP03020043
Status
Active
Exact Mass
Calculate m/z
644.489326
Formula
Abbrev
Abbrev Chains
CerPE 15:2;O2/18:0


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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)
FZXIMTBXGSCHOL-YKENKANRSA-N
InChi (Click to copy)
InChI=1S/C35H69N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-35(39)37-33(32-43-44(40,41)42-31-30-36)34(38)28-26-24-22-20-14-12-10-8-6-4-2/h22,24,26,28,33-34,38H,3-21,23,25,27,29-32,36H2,1-2H3,(H,37,39)(H,40,41)/b24-22+,28-26+/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCCCCCC)=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

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 700.71
Topological Polar Surface Area 131.11
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 10.65
Molar Refractivity 186.90

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Created at
-
Updated at
26th May 2022