In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029AF8 |
---|---|
Common Name | PE-Cer(d14:1(8E)/13:0(2OH[R])) |
Systematic Name | N-(2R-hydroxydodecanoyl)-8E-tetradecasphingenine-1-phosphoethanolamine |
Synonyms | PE-Cer(d27:1h); PE-Cer(d14:1/13:0h) |
Exact Mass | |
Formula | C29H59N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | OXOPYOKHQCDMQC-VCJAWLRNSA-N |
InChI | InChI=1S/C29H59N2O7P/c1-3-5-7-9-11-13-15-17-19-21-27(32)26(25-38-39(35,36)37-24- 23-30)31-29(34)28(33)22-20-18-16-14-12-10-8-6-4-2/h11,13,26-28,32-33H,3-10,12,14 -25,30H2,1-2H3,(H,31,34)(H,35,36)/b13-11+/t26-,27+,28+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |