In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02039AJ2 |
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Common Name | PE(P-18:1(11Z)/18:1(6Z)) |
Systematic Name | 1-(1Z,11Z-octadecadienyl)-2-(6Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(P-36:2); PE(P-18:1/18:1) |
Exact Mass | |
Formula | C41H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203] |
PubChem Compound ID (CID) | - |
InChIKey | SLSCSQNESNNTLR-WGZMXZOASA-N |
InChI | InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(3 9-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4- 2/h13,15,24,26,33,36,40H,3-12,14,16-23,25,27-32,34-35,37-39,42H2,1-2H3,(H,44,45) /b15-13-,26-24-,36-33-/t40-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCC/C=C\CCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |