In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029BQD |
---|---|
Common Name | PE-Cer(d17:2(4E,8E)/11:0) |
Systematic Name | N-(undecanoyl)-4E,8E-heptadecasphingadienine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C30H59N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | AQVFMLAHRGDTDI-AUKHWXCASA-N |
InChI | InChI=1S/C30H59N2O6P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-29(33)28(27-38-39(35, 36)37-26-25-31)32-30(34)24-22-20-18-12-10-8-6-4-2/h15-16,21,23,28-29,33H,3-14,17 -20,22,24-27,31H2,1-2H3,(H,32,34)(H,35,36)/b16-15+,23-21+/t28-,29+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |