In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029CUR |
---|---|
Common Name | PE-Cer(d21:0/10:0) |
Systematic Name | N-(decanoyl)-heneicosasphinganine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C33H69N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | GNWPPOFRIYAHBD-AJQTZOPKSA-N |
InChI | InChI=1S/C33H69N2O6P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-22-24-26-32(36)31( 30-41-42(38,39)40-29-28-34)35-33(37)27-25-23-20-10-8-6-4-2/h31-32,36H,3-30,34H2, 1-2H3,(H,35,37)(H,38,39)/t31-,32+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |