In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019ADK |
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Common Name | PE(11:0/20:0) |
Systematic Name | 1-undecanoyl-2-eicosanoyl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(31:0); PE(11:0_20:0) |
Exact Mass | |
Formula | C36H72NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | QWQCHQGPORUOPW-UUWRZZSWSA-N |
InChI | InChI=1S/C36H72NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-36(39)4 5-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-12-10-8-6-4-2/h34H,3-33, 37H2,1-2H3,(H,40,41)/t34-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |