In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039AAR |
---|---|
Common Name | PI-Cer(d14:0/16:1(9Z)) |
Systematic Name | N-(9Z-hexadecenoyl)-tetradecasphinganine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C36H70NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | OXIWGFBNGHIKOH-PYFOGPIYSA-N |
InChI | InChI=1S/C36H70NO11P/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-30(39)37-28(29(38) 25-23-21-19-17-12-10-8-6-4-2)27-47-49(45,46)48-36-34(43)32(41)31(40)33(42)35(36) 44/h13-14,28-29,31-36,38,40-44H,3-12,15-27H2,1-2H3,(H,37,39)(H,45,46)/b14-13-/t2 8-,29+,31?,32+,33?,34?,35?,36+/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\CCCCCC)=O)[C @]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |