In-Silico Structure database (LMISSD)
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LM ID | LMGP20029AB5 |
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Common Name | PE(10:0/9:2(5E,7E)(4Ke,9Ke)) |
Systematic Name | 1-decanoyl-2-(4,9-dioxo-5E,7E-nonadienoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(19:2(Ke2)); PE(10:0/9:2(Ke2)) |
Exact Mass | |
Formula | C24H40NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | XSPGLHUCUAJGLX-LOSSPHQTSA-N |
InChI | InChI=1S/C24H40NO10P/c1-2-3-4-5-6-7-10-13-23(28)32-19-22(20-34-36(30,31)33-18-16 -25)35-24(29)15-14-21(27)12-9-8-11-17-26/h8-9,11-12,17,22H,2-7,10,13-16,18-20,25 H2,1H3,(H,30,31)/b11-8+,12-9+/t22-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC(=O)/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |