In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029AAL |
---|---|
Common Name | PE-Cer(d14:0/15:0(2OH[R])) |
Systematic Name | N-(2R-hydroxypentadecanoyl)-tetradecasphinganine-1-phosphoethanolamine |
Synonyms | PE-Cer(d29:0h); PE-Cer(d14:0/15:0h) |
Exact Mass | |
Formula | C31H65N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | WJFUNXJDXLXKSI-FRXPANAUSA-N |
InChI | InChI=1S/C31H65N2O7P/c1-3-5-7-9-11-13-14-16-18-20-22-24-30(35)31(36)33-28(27-40- 41(37,38)39-26-25-32)29(34)23-21-19-17-15-12-10-8-6-4-2/h28-30,34-35H,3-27,32H2, 1-2H3,(H,33,36)(H,37,38)/t28-,29+,30+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC([C@H](O)CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |