In-Silico Structure Database (LMISSD)
Common Name
Cer(t14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-4R-hydroxytetradecasphinganine
LM ID
LMSP02039ACD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
571.460059
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]
String Representations
InChiKey (Click to copy)
NHEHYMRRZCNIHW-GGLAZIBMSA-N
InChi (Click to copy)
InChI=1S/C36H61NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-35(40)37-33(32-38)36(41)34(39)30-28-26-24-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,25,27,33-34,36,38-39,41H,3-4,6,8-10,12,14,17,20,23-24,26,28-32H2,1-2H3,(H,37,40)/b7-5-,13-11-,16-15-,19-18-,22-21-,27-25-/t33-,34+,36-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCC