In-Silico Structure Database (LMISSD)
Common Name
CerP(d14:0/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
N-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-tetradecasphinganine-1-phosphate
LM ID
LMSP02059ACB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
637.447127
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
Ceramide 1-phosphates [SP0205]
String Representations
InChiKey (Click to copy)
GTTOEZOTZQKQRZ-ITAPMTDLSA-N
InChi (Click to copy)
InChI=1S/C36H64NO6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-36(39)37-34(33-43-44(40,41)42)35(38)31-29-27-25-23-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,34-35,38H,3-4,6,8-10,12,14,17,20,23-33H2,1-2H3,(H,37,39)(H2,40,41,42)/b7-5-,13-11-,16-15-,19-18-,22-21-/t34-,35+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)[C@]([H])(O)CCCCCCCCCCC