In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039ADC |
---|---|
Common Name | PI-Cer(d14:1(4E)/13:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydodecanoyl)-4E-tetradecasphingenine-1-phospho-(1'-myo-inositol) |
Synonyms | PI-Cer(d27:1h); PI-Cer(d14:1/13:0h) |
Exact Mass | |
Formula | C33H64NO12P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | NODUJSWSUPBKML-SPYGLNSCSA-N |
InChI | InChI=1S/C33H64NO12P/c1-3-5-7-9-11-13-15-17-19-21-25(35)24(34-33(42)26(36)22-20- 18-16-14-12-10-8-6-4-2)23-45-47(43,44)46-32-30(40)28(38)27(37)29(39)31(32)41/h19 ,21,24-32,35-41H,3-18,20,22-23H2,1-2H3,(H,34,42)(H,43,44)/b21-19+/t24-,25+,26+,2 7?,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)CCCCCCCCCCC)=O)[ C@]([H])(O)/C=C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |