In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039BEW |
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Common Name | PI-Cer(d16:2(4E,8E)/13:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydodecanoyl)-4E,8E-hexadecasphingadienine-1-phospho-(1'-myo- inositol) |
Synonyms | PI-Cer(d29:2h); PI-Cer(d16:2/13:0h) |
Exact Mass | |
Formula | C35H66NO12P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | PELYVQDMOCUNBO-WNFKMQOOSA-N |
InChI | InChI=1S/C35H66NO12P/c1-3-5-7-9-11-13-14-16-17-19-21-23-27(37)26(36-35(44)28(38) 24-22-20-18-15-12-10-8-6-4-2)25-47-49(45,46)48-34-32(42)30(40)29(39)31(41)33(34) 43/h14,16,21,23,26-34,37-43H,3-13,15,17-20,22,24-25H2,1-2H3,(H,36,44)(H,45,46)/b 16-14+,23-21+/t26-,27+,28+,29?,30+,31?,32?,33?,34+/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)CCCCCCCCCCC)=O)[ C@]([H])(O)/C=C/CC/C=C/CCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |