In-Silico Structure Database (LMISSD)
Common Name
Cer(d22:0/21:0(2OH[R]))
Systematic Name
N-(2R-hydroxyheneicosanoyl)-docosasphinganine
LM ID
LMSP02029AZJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
681.663509
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]
String Representations
InChiKey (Click to copy)
VKAKGYNESSQTQP-FEWNNGCESA-N
InChi (Click to copy)
InChI=1S/C43H87NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(46)40(39-45)44-43(48)42(47)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40-42,45-47H,3-39H2,1-2H3,(H,44,48)/t40-,41+,42+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCCC