In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029AAH |
---|---|
Common Name | PE-Cer(d14:0/13:0) |
Systematic Name | N-(tridecanoyl)-tetradecasphinganine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C29H61N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | OGJVAUJJDOZNRP-WUFINQPMSA-N |
InChI | InChI=1S/C29H61N2O6P/c1-3-5-7-9-11-13-15-17-19-21-23-29(33)31-27(26-37-38(34,35) 36-25-24-30)28(32)22-20-18-16-14-12-10-8-6-4-2/h27-28,32H,3-26,30H2,1-2H3,(H,31, 33)(H,34,35)/t27-,28+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |