In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029BQB |
---|---|
Common Name | PE-Cer(d17:2(4E,8E)/10:0) |
Systematic Name | N-(decanoyl)-4E,8E-heptadecasphingadienine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C29H57N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | WFABYJCQIVEMOH-WAEFRKLMSA-N |
InChI | InChI=1S/C29H57N2O6P/c1-3-5-7-9-11-12-13-14-15-17-18-20-22-28(32)27(26-37-38(34, 35)36-25-24-30)31-29(33)23-21-19-16-10-8-6-4-2/h14-15,20,22,27-28,32H,3-13,16-19 ,21,23-26,30H2,1-2H3,(H,31,33)(H,34,35)/b15-14+,22-20+/t27-,28+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |