In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AAG |
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Common Name | PE(10:0/13:2(9E,11E)(13Ke)) |
Systematic Name | 1-decanoyl-2-(13-oxo-9E,11E-tridecedienoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(23:2(Ke)); PE(10:0/13:2(Ke)) |
Exact Mass | |
Formula | C28H50NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | PCZDCZQFRHKMOI-LPLZLBIBSA-N |
InChI | InChI=1S/C28H50NO9P/c1-2-3-4-5-10-13-16-19-27(31)35-24-26(25-37-39(33,34)36-23-2 1-29)38-28(32)20-17-14-11-8-6-7-9-12-15-18-22-30/h9,12,15,18,22,26H,2-8,10-11,13 -14,16-17,19-21,23-25,29H2,1H3,(H,33,34)/b12-9+,18-15+/t26-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |