In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039BQA |
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Common Name | PI-Cer(d17:2(4E,8E)/10:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydecanoyl)-4E,8E-heptadecasphingadienine-1-phospho-(1'-myo- inositol) |
Synonyms | PI-Cer(d27:2h); PI-Cer(d17:2/10:0h) |
Exact Mass | |
Formula | C33H62NO12P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | SZPFLQCFUSOETJ-FOBWHOFLSA-N |
InChI | InChI=1S/C33H62NO12P/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-25(35)24(34-33(42)26( 36)22-20-17-10-8-6-4-2)23-45-47(43,44)46-32-30(40)28(38)27(37)29(39)31(32)41/h14 -15,19,21,24-32,35-41H,3-13,16-18,20,22-23H2,1-2H3,(H,34,42)(H,43,44)/b15-14+,21 -19+/t24-,25+,26+,27?,28+,29?,30?,31?,32+/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/CCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |