In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:0/12:0)
Systematic Name
N-(dodecanoyl)-tetradecasphinganine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AAF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
669.421702
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
KYQGYSZVDGJGKI-CJPWSFKJSA-N
InChi (Click to copy)
InChI=1S/C32H64NO11P/c1-3-5-7-9-11-13-15-17-19-21-25(34)24(33-26(35)22-20-18-16-14-12-10-8-6-4-2)23-43-45(41,42)44-32-30(39)28(37)27(36)29(38)31(32)40/h24-25,27-32,34,36-40H,3-23H2,1-2H3,(H,33,35)(H,41,42)/t24-,25+,27?,28+,29?,30?,31?,32+/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(CCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC