In-Silico Structure Database (LMISSD)
Common Name
Cer(d17:1(4E)/11:0(2OH[R]))
Systematic Name
N-(2R-hydroxyundecanoyl)-4E-heptadecasphingenine
LM ID
LMSP02019A80
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
469.413109
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]
String Representations
InChiKey (Click to copy)
JUDCQPYDTXQOTB-YOGAVGIASA-N
InChi (Click to copy)
InChI=1S/C28H55NO4/c1-3-5-7-9-11-12-13-14-15-17-18-20-22-26(31)25(24-30)29-28(33)27(32)23-21-19-16-10-8-6-4-2/h20,22,25-27,30-32H,3-19,21,23-24H2,1-2H3,(H,29,33)/b22-20+/t25-,26+,27+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCC