In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029ABE |
---|---|
Common Name | PE-Cer(d14:0/18:3(6Z,9Z,12Z)) |
Systematic Name | N-(6Z,9Z,12Z-octadecatrienoyl)-tetradecasphinganine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C34H65N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | RTLLYVKWSUGZHA-MHJZDIJPSA-N |
InChI | InChI=1S/C34H65N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-34(38)36-32( 31-42-43(39,40)41-30-29-35)33(37)27-25-23-21-19-12-10-8-6-4-2/h11,13,15-16,18,20 ,32-33,37H,3-10,12,14,17,19,21-31,35H2,1-2H3,(H,36,38)(H,39,40)/b13-11-,16-15-,2 0-18-/t32-,33+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCC CC |
MS Spectra | - |
Status | Active (generated by computational methods) |