In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AF6 |
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Common Name | PE(O-16:0/20:4(5Z,8Z,11Z,13E)) |
Systematic Name | 1-hexadecyl-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-36:4); PE(O-16:0/20:4) |
Exact Mass | |
Formula | C41H76NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | AAVHJJSJFGRUPJ-HRMWKVRZSA-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/h13,15,17,19,21-22,26,28,40H,3-12,14,16,18,20,23-25,27,29-39,42H2,1-2H3,(H,44, 45)/b15-13+,19-17-,22-21-,28-26-/t40-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)COCCCCCCCCCCCCCCC C |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |