In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029AAF |
---|---|
Common Name | PE-Cer(d14:0/12:0) |
Systematic Name | N-(dodecanoyl)-tetradecasphinganine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C28H59N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | YRJPCOMGOYWBIR-RRPNLBNLSA-N |
InChI | InChI=1S/C28H59N2O6P/c1-3-5-7-9-11-13-15-17-19-21-27(31)26(25-36-37(33,34)35-24- 23-29)30-28(32)22-20-18-16-14-12-10-8-6-4-2/h26-27,31H,3-25,29H2,1-2H3,(H,30,32) (H,33,34)/t26-,27+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |