In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029ART |
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Common Name | PE-Cer(d15:1(4E)/13:0) |
Systematic Name | N-(tridecanoyl)-4E-pentadecasphingenine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C30H61N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | OSPDAWRTGOQELG-AFKONSSESA-N |
InChI | InChI=1S/C30H61N2O6P/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/h21,23,28-29,33H,3-20,22,24-27 ,31H2,1-2H3,(H,32,34)(H,35,36)/b23-21+/t28-,29+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |