Structure Database (LMSD)

Common Name
CerPE(d14:2(4E,6E)/18:0)
Systematic Name
N-(octadecanoyl)-4E,6E-tetradecasphingadienine-1-phosphoethanolamine
Synonyms
LM ID
LMSP03020030
Status
Active
Exact Mass
Calculate m/z
630.473676
Formula
Abbrev
Abbrev Chains
CerPE 14:2;O2/18:0


Download as...
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)
UKXXTMRUGBOSFT-BCCQZUPASA-N
InChi (Click to copy)
InChI=1S/C34H67N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-34(38)36-32(31-42-43(39,40)41-30-29-35)33(37)27-25-23-21-19-12-10-8-6-4-2/h21,23,25,27,32-33,37H,3-20,22,24,26,28-31,35H2,1-2H3,(H,36,38)(H,39,40)/b23-21+,27-25+/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC

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 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 683.41
Topological Polar Surface Area 131.11
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 10.26
Molar Refractivity 182.28

Admin

Created at
-
Updated at
26th May 2022