In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029A0H |
---|---|
Common Name | PE-Cer(d15:2(4E,8E)/13:0) |
Systematic Name | N-(tridecanoyl)-4E,8E-pentadecasphingadienine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C30H59N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | ACVDXTUTNJJPHH-IQSVDFNISA-N |
InChI | InChI=1S/C30H59N2O6P/c1-3-5-7-9-11-13-15-17-19-21-23-29(33)28(27-38-39(35,36)37- 26-25-31)32-30(34)24-22-20-18-16-14-12-10-8-6-4-2/h13,15,21,23,28-29,33H,3-12,14 ,16-20,22,24-27,31H2,1-2H3,(H,32,34)(H,35,36)/b15-13+,23-21+/t28-,29+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |