In-Silico Structure database (LMISSD)
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LM ID | LMGP02019DHL |
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Common Name | PE(20:5(5Z,8Z,11Z,14Z,17Z)/11:0) |
Systematic Name | 1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-undecanoyl-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(31:5); PE(11:0_20:5) |
Exact Mass | |
Formula | C36H62NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | SMUXAIGFHDXSOH-DPMXWDILSA-N |
InChI | InChI=1S/C36H62NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-24-26-28-35(38)4 2-32-34(33-44-46(40,41)43-31-30-37)45-36(39)29-27-25-22-12-10-8-6-4-2/h5,7,11,13 ,15-16,18-19,21,23,34H,3-4,6,8-10,12,14,17,20,22,24-33,37H2,1-2H3,(H,40,41)/b7-5 -,13-11-,16-15-,19-18-,23-21-/t34-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C C)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |