In-Silico Structure Database (LMISSD)
Common Name
Cer(d14:1(4E)/18:3(9Z,12Z,15Z))
Systematic Name
N-(9Z,12Z,15Z-octadecatrienoyl)-4E-tetradecasphingenine
LM ID
LMSP02019ABF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
503.433844
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]
String Representations
InChiKey (Click to copy)
XIQWGYTWQPXEBZ-PMEHQTCFSA-N
InChi (Click to copy)
InChI=1S/C32H57NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-12-10-8-6-4-2/h5,7,11,13,15-16,25,27,30-31,34-35H,3-4,6,8-10,12,14,17-24,26,28-29H2,1-2H3,(H,33,36)/b7-5-,13-11-,16-15-,27-25+/t30-,31+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)[C@]([H])(O)/C=C/CCCCCCCCC