In-Silico Structure Database (LMISSD)
Common Name
PE-Cer(d19:1(4E)/10:0(2OH[R]))
Systematic Name
N-(2R-hydroxydecanoyl)-4E-nonadecasphingenine-1-phosphoethanolamine
LM ID
LMSP03029CAI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
606.437291
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]
String Representations
InChiKey (Click to copy)
ITXSCZUZGVDHFI-GFPODBNZSA-N
InChi (Click to copy)
InChI=1S/C31H63N2O7P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-29(34)28(27-40-41(37,38)39-26-25-32)33-31(36)30(35)24-22-19-10-8-6-4-2/h21,23,28-30,34-35H,3-20,22,24-27,32H2,1-2H3,(H,33,36)(H,37,38)/b23-21+/t28-,29+,30+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCCC