In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03039AF7 |
---|---|
Common Name | PI-Cer(d14:1(8E)/12:0) |
Systematic Name | N-(dodecanoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol) |
Synonyms | - |
Exact Mass | |
Formula | C32H62NO11P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoinositols [SP0303] |
PubChem Compound ID (CID) | - |
InChIKey | HJMRMISCVNBWOI-YAGHAVOISA-N |
InChI | InChI=1S/C32H62NO11P/c1-3-5-7-9-11-13-15-17-19-21-25(34)24(33-26(35)22-20-18-16- 14-12-10-8-6-4-2)23-43-45(41,42)44-32-30(39)28(37)27(36)29(38)31(32)40/h11,13,24 -25,27-32,34,36-40H,3-10,12,14-23H2,1-2H3,(H,33,35)(H,41,42)/b13-11+/t24-,25+,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(CCCCCCCCCCC)=O)[C@]([H]) (O)CCCC/C=C/CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |