In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AO1 |
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Common Name | PE(O-18:1(11Z)/18:4(9E,11E,13E,15E)) |
Systematic Name | 1-(11Z-octadecenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(O-36:5); PE(O-18:1/18:4) |
Exact Mass | |
Formula | C41H74NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | WNZDQVVEQQZSBW-GKDGJVAASA-N |
InChI | InChI=1S/C41H74NO7P/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/h6,8,10,12-16,18,20,40H,3-5,7,9,11,17,19,21-39,42H2,1-2H3,(H,44,45)/b8-6+,12-1 0+,15-13-,16-14+,20-18+/t40-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COCCCCCCCCCC/C=C\CCCC CC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |