In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039BHO |
---|---|
Common Name | PI-Cer(d17:0/11:0(2OH[R])) |
Systematic Name | N-(2R-hydroxyundecanoyl)-heptadecasphinganine-1-phospho-(1'-myo-inositol) |
Synonyms | PI-Cer(d28:0h); PI-Cer(d17:0/11:0h) |
Exact Mass | |
Formula | C34H68NO12P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | BYDMICNOHYTDHS-KGNMWVGZSA-N |
InChI | InChI=1S/C34H68NO12P/c1-3-5-7-9-11-12-13-14-15-17-18-20-22-26(36)25(35-34(43)27( 37)23-21-19-16-10-8-6-4-2)24-46-48(44,45)47-33-31(41)29(39)28(38)30(40)32(33)42/ h25-33,36-42H,3-24H2,1-2H3,(H,35,43)(H,44,45)/t25-,26+,27+,28?,29+,30?,31?,32?,3 3+/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)CCCCCCCCC)=O)[C@ ]([H])(O)CCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |