In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03029ABX |
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Common Name | PE-Cer(d14:0/20:4(5Z,8Z,11Z,13E)) |
Systematic Name | N-(5Z,8Z,11Z,13E-eicosatetraenoyl)-tetradecasphinganine-1-phosphoethanolamine |
Synonyms | - |
Exact Mass | |
Formula | C36H67N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphoethanolamines [SP0302] |
PubChem Compound ID (CID) | - |
InChIKey | MMKOXQJJAAKOTL-VESBWXMBSA-N |
InChI | InChI=1S/C36H67N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-36(40) 38-34(33-44-45(41,42)43-32-31-37)35(39)29-27-25-23-21-12-10-8-6-4-2/h13-16,18-19 ,22,24,34-35,39H,3-12,17,20-21,23,25-33,37H2,1-2H3,(H,38,40)(H,41,42)/b14-13+,16 -15-,19-18-,24-22-/t34-,35+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(NC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)[C@]([H])(O)CCCCC CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |