In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039B1X |
---|---|
Common Name | PI-Cer(d18:2(4E,14Z)/11:0) |
Systematic Name | N-(undecanoyl)-4E,14Z-sphingadienine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C35H66NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | XTRBOFDCKOTXEX-WOOAJCIXSA-N |
InChI | InChI=1S/C35H66NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-28(37)27(36-29(38) 25-23-21-19-12-10-8-6-4-2)26-46-48(44,45)47-35-33(42)31(40)30(39)32(41)34(35)43/ h7,9,22,24,27-28,30-35,37,39-43H,3-6,8,10-21,23,25-26H2,1-2H3,(H,36,38)(H,44,45) /b9-7-,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(CCCCCCCCCC)=O)[C@]([H])( O)/C=C/CCCCCCCC/C=C\CCC |
MS Spectra | - |
Status | Active (generated by computational methods) |