In-Silico Structure Database (LMISSD)
Common Name
Cer(d21:0/21:0)
Systematic Name
N-(heneicosanoyl)-heneicosasphinganine
LM ID
LMSP02029AUW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
651.652944
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]
String Representations
InChiKey (Click to copy)
VNWPBPKXDBHVSJ-WVILEFPPSA-N
InChi (Click to copy)
InChI=1S/C42H85NO3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCC