In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AFB |
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Common Name | PE(O-16:0/18:1(11E)) |
Systematic Name | 1-hexadecyl-2-(11E-octadecenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-34:1); PE(O-16:0/18:1) |
Exact Mass | |
Formula | C39H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | PSWUQUXMJCXHFU-VKRSTVLDSA-N |
InChI | InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(3 7-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13, 15,38H,3-12,14,16-37,40H2,1-2H3,(H,42,43)/b15-13+/t38-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCC/C=C/CCCCCC)=O)COCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |