In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019BV0 |
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Common Name | PE(18:2(6Z,9Z)/13:0) |
Systematic Name | 1-(6Z,9Z-octadecadienoyl)-2-tridecanoyl-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 | BLTBZCRETDVIIS-AWJRLJTQSA-N |
InChI | InChI=1S/C36H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-35(38)42-32-3 4(33-44-46(40,41)43-31-30-37)45-36(39)29-27-25-23-20-14-12-10-8-6-4-2/h16-17,19, 21,34H,3-15,18,20,22-33,37H2,1-2H3,(H,40,41)/b17-16-,21-19-/t34-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\CCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |