In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019AHZ |
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Common Name | PE(13:0/18:2(9Z,11Z)) |
Systematic Name | 1-tridecanoyl-2-(9Z,11Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(31:2); PE(13:0_18:2) |
Exact Mass | |
Formula | C36H68NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | FOMZHQRJJMULMJ-CVNXKCHTSA-N |
InChI | InChI=1S/C36H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-36(39)45-34(3 3-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-14-12-10-8-6-4-2/h13,15-17, 34H,3-12,14,18-33,37H2,1-2H3,(H,40,41)/b15-13-,17-16-/t34-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\C=C/CCCCCC)=O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |