In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039C0J |
---|---|
Common Name | PI-Cer(d21:1(8E)/10:0) |
Systematic Name | N-(decanoyl)-8E-heneicosasphingenine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C37H72NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | FKRYZNKCFHSNOZ-IJDKUTMOSA-N |
InChI | InChI=1S/C37H72NO11P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-22-24-26-30(39)29( 38-31(40)27-25-23-20-10-8-6-4-2)28-48-50(46,47)49-37-35(44)33(42)32(41)34(43)36( 37)45/h18-19,29-30,32-37,39,41-45H,3-17,20-28H2,1-2H3,(H,38,40)(H,46,47)/b19-18+ /t29-,30+,32?,33+,34?,35?,36?,37+/m0/s1 |
SMILES | [C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O )CCCC/C=C/CCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |