In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019AO1 |
---|---|
Common Name | PE(15:0/18:4(9E,11E,13E,15E)) |
Systematic Name | 1-pentadecanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(33:4); PE(15:0_18:4) |
Exact Mass | |
Formula | C38H68NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | AWPGJSTUXLJFSJ-GWGKCALGSA-N |
InChI | InChI=1S/C38H68NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(3 5-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7 ,9,11,13,15,17-18,36H,3-4,6,8,10,12,14,16,19-35,39H2,1-2H3,(H,42,43)/b7-5+,11-9+ ,15-13+,18-17+/t36-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |