In-Silico Structure Database (LMISSD)
Common Name
Cer(d21:0/20:4(5Z,8Z,10E,14Z))
Systematic Name
N-(5Z,8Z,10E,14Z-eicosatetraenoyl)-heneicosasphinganine
LM ID
LMSP02029AUP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
629.574694
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]
String Representations
InChiKey (Click to copy)
INAQMCJBISLAAG-SZMJNULGSA-N
InChi (Click to copy)
InChI=1S/C41H75NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,19,21,23,25,29,31,39-40,43-44H,3-10,12,14-18,20,22,24,26-28,30,32-38H2,1-2H3,(H,42,45)/b13-11-,21-19+,25-23-,31-29-/t39-,40+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCC