In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039CRV |
---|---|
Common Name | PI-Cer(d20:2(4E,8E)/10:0) |
Systematic Name | N-(decanoyl)-4E,8E-eicosasphingadienine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C36H68NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | VYGURKUFCJCINB-UKBHZFBVSA-N |
InChI | InChI=1S/C36H68NO11P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-29(38)28(37- 30(39)26-24-22-19-10-8-6-4-2)27-47-49(45,46)48-36-34(43)32(41)31(40)33(42)35(36) 44/h17-18,23,25,28-29,31-36,38,40-44H,3-16,19-22,24,26-27H2,1-2H3,(H,37,39)(H,45 ,46)/b18-17+,25-23+/t28-,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(CCCCCCCCC)=O)[C@]([H])(O )/C=C/CC/C=C/CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |