In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AH9 |
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Common Name | PE(O-16:1(11Z)/20:1(13E)) |
Systematic Name | 1-(11Z-hexadecenyl)-2-(13E-eicosenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-36:2); PE(O-16:1/20:1) |
Exact Mass | |
Formula | C41H80NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | IZORTNHXZVJGBN-ZCJNHHQOSA-N |
InChI | InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)4 9-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4- 2/h10,12-13,15,40H,3-9,11,14,16-39,42H2,1-2H3,(H,44,45)/b12-10-,15-13+/t40-/m1/s 1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCC/C=C/CCCCCC)=O)COCCCCCCCCCC/C=C\CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |