In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029A6M |
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Common Name | PE(O-22:1(11Z)/12:0) |
Systematic Name | 1-(11Z-docosenyl)-2-dodecanoyl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-34:1); PE(O-22:1/12:0) |
Exact Mass | |
Formula | C39H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | ISRBWFGPEVVDNV-DYFSFZQGSA-N |
InChI | InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-3 4-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-12-10-8-6-4-2/h17- 18,38H,3-16,19-37,40H2,1-2H3,(H,42,43)/b18-17-/t38-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |