In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039BV9 |
---|---|
Common Name | PI-Cer(d18:1(4E)/13:0) |
Systematic Name | N-(tridecanoyl)-4E-sphingenine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C37H72NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | HLJAIEDQOHLRIR-PDJWTBPZSA-N |
InChI | InChI=1S/C37H72NO11P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-30(39)29(38-31(40) 27-25-23-21-19-14-12-10-8-6-4-2)28-48-50(46,47)49-37-35(44)33(42)32(41)34(43)36( 37)45/h24,26,29-30,32-37,39,41-45H,3-23,25,27-28H2,1-2H3,(H,38,40)(H,46,47)/b26- 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(CCCCCCCCCCCC)=O)[C@]([H] )(O)/C=C/CCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |