In-Silico Structure Database (LMISSD)
Common Name
Cer(d14:2(4E,8E)/29:0)
Systematic Name
N-(nonacosanoyl)-4E,8E-tetradecasphingadienine
LM ID
LMSP02019ALJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
661.637294
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]
String Representations
InChiKey (Click to copy)
WBFCIHHLXOGVQR-DSZQAUBNSA-N
InChi (Click to copy)
InChI=1S/C43H83NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-12-10-8-6-4-2/h12,30,36,38,41-42,45-46H,3-11,13-29,31-35,37,39-40H2,1-2H3,(H,44,47)/b30-12+,38-36+/t41-,42+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCC