In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029ER7 |
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Common Name | PE(O-16:1(11Z)/4:0) |
Systematic Name | 1-(11Z-hexadecenyl)-2-butyryl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-20:1); PE(O-16:1/4:0) |
Exact Mass | |
Formula | C25H50NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | XYHJNBNKDCYGEB-IBLIISRWSA-N |
InChI | InChI=1S/C25H50NO7P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-22-24(33-25(27) 18-4-2)23-32-34(28,29)31-21-19-26/h7-8,24H,3-6,9-23,26H2,1-2H3,(H,28,29)/b8-7-/t 24-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC)=O)COCCCCCCCCCC/C=C\CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |