In-Silico Structure Database (LMISSD)
Common Name
CerP(d14:1(4E)/17:2(9Z,12Z))
Systematic Name
N-(9Z,12Z-heptadecadienoyl)-4E-tetradecasphingenine-1-phosphate
LM ID
LMSP02059ADR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
571.400177
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
Ceramide 1-phosphates [SP0205]
String Representations
InChiKey (Click to copy)
BMABZTDMQLOQMJ-XTYILHOXSA-N
InChi (Click to copy)
InChI=1S/C31H58NO6P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-31(34)32-29(28-38-39(35,36)37)30(33)26-24-22-20-18-12-10-8-6-4-2/h9,11,14-15,24,26,29-30,33H,3-8,10,12-13,16-23,25,27-28H2,1-2H3,(H,32,34)(H2,35,36,37)/b11-9-,15-14-,26-24+/t29-,30+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCCCC/C=C\C/C=C\CCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC