In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019BVY |
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Common Name | PE(18:2(6Z,9Z)/11:0) |
Systematic Name | 1-(6Z,9Z-octadecadienoyl)-2-undecanoyl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(29:2); PE(11:0_18:2) |
Exact Mass | |
Formula | C34H64NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | DQMFAGYPBUPENO-JQUFCAPVSA-N |
InChI | InChI=1S/C34H64NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-22-24-26-33(36)40-30-3 2(31-42-44(38,39)41-29-28-35)43-34(37)27-25-23-20-12-10-8-6-4-2/h15-16,18-19,32H ,3-14,17,20-31,35H2,1-2H3,(H,38,39)/b16-15-,19-18-/t32-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\CCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |