In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039AF6 |
---|---|
Common Name | PI-Cer(d14:1(8E)/12:0(2OH[R])) |
Systematic Name | N-(2R-hydroxytridecanoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol) |
Synonyms | PI-Cer(d26:1h); PI-Cer(d14:1/12:0h) |
Exact Mass | |
Formula | C32H62NO12P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | OVXBSPGBRZXGKE-HPWBIGQYSA-N |
InChI | InChI=1S/C32H62NO12P/c1-3-5-7-9-11-13-15-16-18-20-24(34)23(33-32(41)25(35)21-19- 17-14-12-10-8-6-4-2)22-44-46(42,43)45-31-29(39)27(37)26(36)28(38)30(31)40/h11,13 ,23-31,34-40H,3-10,12,14-22H2,1-2H3,(H,33,41)(H,42,43)/b13-11+/t23-,24+,25+,26?, 27+,28?,29?,30?,31+/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)CCCCCCCCCC)=O)[C @]([H])(O)CCCC/C=C/CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |