In-Silico Structure Database (LMISSD)
Common Name
Cer(d21:2(4E,8E)/14:1(9Z))
Systematic Name
N-(9Z-tetradecenoyl)-4E,8E-heneicosasphingadienine
LM ID
LMSP02019CGK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
547.496444
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]
String Representations
InChiKey (Click to copy)
AXONZEFZQOWFEQ-PTZIQYLWSA-N
InChi (Click to copy)
InChI=1S/C35H65NO3/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-34(38)33(32-37)36-35(39)31-29-27-25-23-20-14-12-10-8-6-4-2/h10,12,21-22,28,30,33-34,37-38H,3-9,11,13-20,23-27,29,31-32H2,1-2H3,(H,36,39)/b12-10-,22-21+,30-28+/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCCCCCC