In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d21:0/18:1(9E))
Systematic Name
N-(9E-octadecenoyl)-heneicosasphinganine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039CVL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
849.609502
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
JRULAXAKEGANTI-IJTRCVSTSA-N
InChi (Click to copy)
InChI=1S/C45H88NO11P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-38(47)37(36-56-58(54,55)57-45-43(52)41(50)40(49)42(51)44(45)53)46-39(48)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,37-38,40-45,47,49-53H,3-17,19,21-36H2,1-2H3,(H,46,48)(H,54,55)/b20-18+/t37-,38+,40?,41+,42?,43?,44?,45+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCCCCC/C=C/CCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCC