In-Silico Structure Database (LMISSD)
Common Name
LacCer(d17:0/23:0(2OH[R]))
Systematic Name
N-(2R-hydroxytricosanoyl)-1-β-lactosyl-heptadecasphinganine
LM ID
LMSP05019KN8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
963.722209
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
WWHZTNDFLIJWNK-JGLFYBDDSA-N
InChi (Click to copy)
InChI=1S/C52H101NO14/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-41(57)50(63)53-39(40(56)34-32-30-28-26-24-16-14-12-10-8-6-4-2)38-64-51-48(62)46(60)49(43(37-55)66-51)67-52-47(61)45(59)44(58)42(36-54)65-52/h39-49,51-52,54-62H,3-38H2,1-2H3,(H,53,63)/t39-,40+,41+,42+,43+,44-,45?,46?,47?,48?,49+,51+,52-/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCC