In-Silico Structure Database (LMISSD)
Common Name
Cer(d14:2(4E,8E)/17:1(9Z))
Systematic Name
N-(9Z-heptadecenoyl)-4E,8E-tetradecasphingadienine
LM ID
LMSP02019AJI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
491.433844
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]
String Representations
InChiKey (Click to copy)
XFVBZCFICWIZTR-MLYZSXFASA-N
InChi (Click to copy)
InChI=1S/C31H57NO3/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-31(35)32-29(28-33)30(34)26-24-22-20-18-12-10-8-6-4-2/h12,14-15,18,24,26,29-30,33-34H,3-11,13,16-17,19-23,25,27-28H2,1-2H3,(H,32,35)/b15-14-,18-12+,26-24+/t29-,30+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCC/C=C\CCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCC