In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039ADR |
---|---|
Common Name | PI-Cer(d14:1(4E)/17:2(9Z,12Z)) |
Systematic Name | N-(9Z,12Z-heptadecadienoyl)-4E-tetradecasphingenine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C37H68NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | YFEBIZDEFHGPBK-CSLDWZNXSA-N |
InChI | InChI=1S/C37H68NO11P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-31(40)38-29(30( 39)26-24-22-20-18-12-10-8-6-4-2)28-48-50(46,47)49-37-35(44)33(42)32(41)34(43)36( 37)45/h9,11,14-15,24,26,29-30,32-37,39,41-45H,3-8,10,12-13,16-23,25,27-28H2,1-2H 3,(H,38,40)(H,46,47)/b11-9-,15-14-,26-24+/t29-,30+,32?,33+,34?,35?,36?,37+/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\C/C=C\CCCC)= O)[C@]([H])(O)/C=C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |