In-Silico Structure Database (LMISSD)
Common Name
Cer(d14:1(4E)/12:0)
Systematic Name
N-(dodecanoyl)-4E-tetradecasphingenine
LM ID
LMSP02019AAF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
425.386894
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]
String Representations
InChiKey (Click to copy)
TXVBHVGASMJFSQ-WRBRXSDHSA-N
InChi (Click to copy)
InChI=1S/C26H51NO3/c1-3-5-7-9-11-13-15-17-19-21-25(29)24(23-28)27-26(30)22-20-18-16-14-12-10-8-6-4-2/h19,21,24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/b21-19+/t24-,25+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC