In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039A0K |
---|---|
Common Name | PI-Cer(d15:2(4E,8E)/14:1(9Z)) |
Systematic Name | N-(9Z-tetradecenoyl)-4E,8E-pentadecasphingadienine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C35H64NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | PSMFKUNFUALSCW-RFBOFWPFSA-N |
InChI | InChI=1S/C35H64NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(38)36-27(28(37)24-22- 20-18-16-14-12-10-8-6-4-2)26-46-48(44,45)47-35-33(42)31(40)30(39)32(41)34(35)43/ h9,11,14,16,22,24,27-28,30-35,37,39-43H,3-8,10,12-13,15,17-21,23,25-26H2,1-2H3,( H,36,38)(H,44,45)/b11-9-,16-14+,24-22+/t27-,28+,30?,31+,32?,33?,34?,35+/m0/s1 |
SMILES | [C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@] ([H])(O)/C=C/CC/C=C/CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |