In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029AAJ |
---|---|
Common Name | PE-Cer(d14:0/14:0) |
Systematic Name | N-(tetradecanoyl)-tetradecasphinganine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C30H63N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | LQNGYRSDGCTEFT-URLMMPGGSA-N |
InChI | InChI=1S/C30H63N2O6P/c1-3-5-7-9-11-13-14-16-18-20-22-24-30(34)32-28(27-38-39(35, 36)37-26-25-31)29(33)23-21-19-17-15-12-10-8-6-4-2/h28-29,33H,3-27,31H2,1-2H3,(H, 32,34)(H,35,36)/t28-,29+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |