In-Silico Structure Database (LMISSD)
Common Name
Cer(d16:2(4E,8E)/25:0(2OH[R]))
Systematic Name
N-(2R-hydroxypentacosanoyl)-4E,8E-hexadecasphingadienine
LM ID
LMSP02019A8D
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
649.600909
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]
String Representations
InChiKey (Click to copy)
VPHNQHOMNFCKKU-XPVXMHLLSA-N
InChi (Click to copy)
InChI=1S/C41H79NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(45)41(46)42-38(37-43)39(44)35-33-31-29-27-25-14-12-10-8-6-4-2/h25,27,33,35,38-40,43-45H,3-24,26,28-32,34,36-37H2,1-2H3,(H,42,46)/b27-25+,35-33+/t38-,39+,40+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCC