In-Silico Structure Database (LMISSD)
Common Name
CerP(d14:1(8E)/21:0)
Systematic Name
N-(heneicosanoyl)-8E-tetradecasphingenine-1-phosphate
LM ID
LMSP02059AHV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
631.494077
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
Ceramide 1-phosphates [SP0205]
String Representations
InChiKey (Click to copy)
JILGMZJPTJAIKS-DGUQOOMXSA-N
InChi (Click to copy)
InChI=1S/C35H70NO6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-35(38)36-33(32-42-43(39,40)41)34(37)30-28-26-24-22-12-10-8-6-4-2/h12,22,33-34,37H,3-11,13-21,23-32H2,1-2H3,(H,36,38)(H2,39,40,41)/b22-12+/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC