In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019B0O |
---|---|
Common Name | PE(18:2(9E,12E)/14:1(9Z)) |
Systematic Name | 1-(9E,12E-octadecadienoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(32:3); PE(14:1_18:2) |
Exact Mass | |
Formula | C37H68NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | KNKLCYXFITTYGQ-CLRPQGFESA-N |
InChI | InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-3 5(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h10-13, 16-17,35H,3-9,14-15,18-34,38H2,1-2H3,(H,41,42)/b12-10-,13-11+,17-16+/t35-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C/C/C=C/CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |