In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AIE |
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Common Name | PE(O-16:1(11Z)/20:3(8Z,11Z,14Z)) |
Systematic Name | 1-(11Z-hexadecenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(O-36:4); PE(O-16:1/20:3) |
Exact Mass | |
Formula | C41H76NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | SKIQQMKLYJXFFI-NUAOHKPSSA-N |
InChI | InChI=1S/C41H76NO7P/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/h10-13,17,19,21-22,40H,3-9,14-16,18,20,23-39,42H2,1-2H3,(H,44,45)/b12-10-,13-1 1-,19-17-,22-21-/t40-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCC/C=C\CC CC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |