In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039ABJ |
---|---|
Common Name | PI-Cer(d14:0/19:0) |
Systematic Name | N-(nonadecanoyl)-tetradecasphinganine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C39H78NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | ZWLQHWCBRNVOPX-GBFZBKSPSA-N |
InChI | InChI=1S/C39H78NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-33(42)40- 31(32(41)28-26-24-22-20-12-10-8-6-4-2)30-50-52(48,49)51-39-37(46)35(44)34(43)36( 45)38(39)47/h31-32,34-39,41,43-47H,3-30H2,1-2H3,(H,40,42)(H,48,49)/t31-,32+,34?, 35+,36?,37?,38?,39+/m0/s1 |
SMILES | [C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCC)=O)[C @]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |