In-Silico Structure Database (LMISSD)
Common Name
Cer(t14:0/17:1(9Z))
Systematic Name
N-(9Z-heptadecenoyl)-4R-hydroxytetradecasphinganine
LM ID
LMSP02039AAU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
511.460059
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]
String Representations
InChiKey (Click to copy)
FTRMGNGBKMUYCA-BCJKXCQYSA-N
InChi (Click to copy)
InChI=1S/C31H61NO4/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-30(35)32-28(27-33)31(36)29(34)25-23-21-19-12-10-8-6-4-2/h14-15,28-29,31,33-34,36H,3-13,16-27H2,1-2H3,(H,32,35)/b15-14-/t28-,29+,31-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCC/C=C\CCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCC