In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039B4Q |
---|---|
Common Name | PI-Cer(d18:2(4E,8E)/10:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydecanoyl)-4E,8E-sphingadienine-1-phospho-(1'-myo-inositol) |
Synonyms | PI-Cer(d28:2h); PI-Cer(d18:2/10:0h) |
Exact Mass | |
Formula | C34H64NO12P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | FGPXELRICZXKLS-JSQMRCRCSA-N |
InChI | InChI=1S/C34H64NO12P/c1-3-5-7-9-11-12-13-14-15-16-17-19-20-22-26(36)25(35-34(43) 27(37)23-21-18-10-8-6-4-2)24-46-48(44,45)47-33-31(41)29(39)28(38)30(40)32(33)42/ h15-16,20,22,25-33,36-42H,3-14,17-19,21,23-24H2,1-2H3,(H,35,43)(H,44,45)/b16-15+ ,22-20+/t25-,26+,27+,28?,29+,30?,31?,32?,33+/m0/s1 |
SMILES | [C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCC)=O)[C@] ([H])(O)/C=C/CC/C=C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |