In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029ABV |
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Common Name | PE(10:0/7:1(5E)(4OH,7Ke)) |
Systematic Name | 1-decanoyl-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(17:1(OH,Ke)); PE(10:0/7:1(OH,Ke)) |
Exact Mass | |
Formula | C22H40NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | KLJCSYFQNRNNDP-KOOBHDLRSA-N |
InChI | InChI=1S/C22H40NO10P/c1-2-3-4-5-6-7-8-11-21(26)30-17-20(18-32-34(28,29)31-16-14- 23)33-22(27)13-12-19(25)10-9-15-24/h9-10,15,19-20,25H,2-8,11-14,16-18,23H2,1H3,( H,28,29)/b10-9+/t19?,20-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC(O)/C=C/C=O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |