In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019AIA |
---|---|
Common Name | PE(13:0/20:1(13Z)) |
Systematic Name | 1-tridecanoyl-2-(13Z-eicosenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(33:1); PE(13:0_20:1) |
Exact Mass | |
Formula | C38H74NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | ZEIWSXYICYSVHA-MRDDHZETSA-N |
InChI | InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-38(41)4 7-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-14-12-10-8-6-4-2/h13, 15,36H,3-12,14,16-35,39H2,1-2H3,(H,42,43)/b15-13-/t36-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |