In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039AXE |
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Common Name | PI-Cer(d15:2(4E,6E)/10:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydecanoyl)-4E,6E-pentadecasphingadienine-1-phospho-(1'-myo- inositol) |
Synonyms | PI-Cer(d25:2h); PI-Cer(d15:2/10:0h) |
Exact Mass | |
Formula | C31H58NO12P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | FMCMYTWZNUUNRP-MFMHBNAJSA-N |
InChI | InChI=1S/C31H58NO12P/c1-3-5-7-9-11-12-13-14-16-17-19-23(33)22(32-31(40)24(34)20- 18-15-10-8-6-4-2)21-43-45(41,42)44-30-28(38)26(36)25(35)27(37)29(30)39/h14,16-17 ,19,22-30,33-39H,3-13,15,18,20-21H2,1-2H3,(H,32,40)(H,41,42)/b16-14+,19-17+/t22- ,23+,24+,25?,26+,27?,28?,29?,30+/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/C=C/CCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |