In-Silico Structure Database (LMISSD)
Common Name
CerP(d15:1(4E)/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
N-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-4E-pentadecasphingenine-1-phosphate
LM ID
LMSP02059ATM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
649.447127
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
Ceramide 1-phosphates [SP0205]
String Representations
InChiKey (Click to copy)
SAIOWMSJQLQQKM-KWOMFKFLSA-N
InChi (Click to copy)
InChI=1S/C37H64NO6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-37(40)38-35(34-44-45(41,42)43)36(39)32-30-28-26-24-14-12-10-8-6-4-2/h11,13,16-17,19-20,22-23,27,29-30,32,35-36,39H,3-10,12,14-15,18,21,24-26,28,31,33-34H2,1-2H3,(H,38,40)(H2,41,42,43)/b13-11-,17-16-,20-19-,23-22-,29-27-,32-30+/t35-,36+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCC