In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029ABW |
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Common Name | PE(10:0/7:1(5E)(4OH,7OH,7Ke)) |
Systematic Name | 1-decanoyl-2-(4-hydroxy-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(17:1(OH2,Ke)); PE(10:0/7:1(OH2,Ke)) |
Exact Mass | |
Formula | C22H40NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | DKZKFEMQHOBLAP-SCOIZXIBSA-N |
InChI | InChI=1S/C22H40NO11P/c1-2-3-4-5-6-7-8-9-21(27)31-16-19(17-33-35(29,30)32-15-14-2 3)34-22(28)13-11-18(24)10-12-20(25)26/h10,12,18-19,24H,2-9,11,13-17,23H2,1H3,(H, 25,26)(H,29,30)/b12-10+/t18?,19-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |