In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039CGA |
---|---|
Common Name | PI-Cer(d19:2(4E,8E)/10:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydecanoyl)-4E,8E-nonadecasphingadienine-1-phospho-(1'-myo-inositol) |
Synonyms | PI-Cer(d29:2h); PI-Cer(d19:2/10:0h) |
Exact Mass | |
Formula | C35H66NO12P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | XYEVQEZBTYMNRY-ORYOGWJZSA-N |
InChI | InChI=1S/C35H66NO12P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-27(37)26(36-35( 44)28(38)24-22-19-10-8-6-4-2)25-47-49(45,46)48-34-32(42)30(40)29(39)31(41)33(34) 43/h16-17,21,23,26-34,37-43H,3-15,18-20,22,24-25H2,1-2H3,(H,36,44)(H,45,46)/b17- 16+,23-21+/t26-,27+,28+,29?,30+,31?,32?,33?,34+/m0/s1 |
SMILES | [C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCC)=O)[C@] ([H])(O)/C=C/CC/C=C/CCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |