In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AQY |
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Common Name | PE(O-18:1(9Z)/18:1(4E)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(4E-octadecenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-36:2); PE(O-18:1/18:1) |
Exact Mass | |
Formula | C41H80NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | MQEJJWVBGNBEAI-ZAKPXIFJSA-N |
InChI | InChI=1S/C41H80NO7P/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/h17,19,28,30,40H,3-16,18,20-27,29,31-39,42H2,1-2H3,(H,44,45)/b19-17-,30-28+/t4 0-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CC/C=C/CCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |