In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AOY |
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Common Name | PE(O-18:1(11Z)/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-(11Z-octadecenyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(O-36:4); PE(O-18:1/18:3) |
Exact Mass | |
Formula | C41H76NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | KWEAAYGAMFVIGR-PPGQVUFSSA-N |
InChI | InChI=1S/C41H76NO7P/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/h12-15,18,20,24,26,40H,3-11,16-17,19,21-23,25,27-39,42H2,1-2H3,(H,44,45)/b14-1 2-,15-13-,20-18-,26-24-/t40-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCC/C=C\CCCC CC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |