In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AU6 |
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Common Name | PE(O-20:1(11Z)/14:1(9Z)) |
Systematic Name | 1-(11Z-eicosenyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-34:2); PE(O-20:1/14:1) |
Exact Mass | |
Formula | C39H76NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | SIBOFSHZCBRTKL-HBCFQMDGSA-N |
InChI | InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-34-44-3 6-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-14-12-10-8-6-4-2/h10, 12,16-17,38H,3-9,11,13-15,18-37,40H2,1-2H3,(H,42,43)/b12-10-,17-16-/t38-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCC)=O)COCCCCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |