In-Silico Structure Database (LMISSD)
Common Name
Cer(d21:0/18:3(6Z,9Z,12Z))
Systematic Name
N-(6Z,9Z,12Z-octadecatrienoyl)-heneicosasphinganine
LM ID
LMSP02029AT7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
603.559044
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]
String Representations
InChiKey (Click to copy)
JCJPENXFTKJAPZ-CEUXPQEHSA-N
InChi (Click to copy)
InChI=1S/C39H73NO3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-38(42)37(36-41)40-39(43)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,37-38,41-42H,3-11,13,15-17,19,21-24,26,28-36H2,1-2H3,(H,40,43)/b14-12-,20-18-,27-25-/t37-,38+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCC