In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039AF3 |
---|---|
Common Name | PI-Cer(d14:1(8E)/10:0) |
Systematic Name | N-(decanoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C30H58NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | LTPZSBJNXWPTFU-FBGICYIDSA-N |
InChI | InChI=1S/C30H58NO11P/c1-3-5-7-9-11-12-14-15-17-19-23(32)22(31-24(33)20-18-16-13- 10-8-6-4-2)21-41-43(39,40)42-30-28(37)26(35)25(34)27(36)29(30)38/h11-12,22-23,25 -30,32,34-38H,3-10,13-21H2,1-2H3,(H,31,33)(H,39,40)/b12-11+/t22-,23+,25?,26+,27? ,28?,29?,30+/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/CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |