In-Silico Structure database (LMISSD)
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LM ID | LMGP20029AAJ |
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Common Name | PE(10:0/13:3(5Z,8E,11E)(10OH,13Ke)) |
Systematic Name | 1-decanoyl-2-(10-hydroxy-13-oxo-5Z,8E,11E-tridecatrienoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(23:3(OH,Ke)); PE(10:0/13:3(OH,Ke)) |
Exact Mass | |
Formula | C28H48NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | FZMLVZASOKXFIU-SXYKSUPRSA-N |
InChI | InChI=1S/C28H48NO10P/c1-2-3-4-5-6-10-13-18-27(32)36-23-26(24-38-40(34,35)37-22-2 0-29)39-28(33)19-14-11-8-7-9-12-16-25(31)17-15-21-30/h7-8,12,15-17,21,25-26,31H, 2-6,9-11,13-14,18-20,22-24,29H2,1H3,(H,34,35)/b8-7-,16-12+,17-15+/t25?,26-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C/C=C/C(O)/C=C/C=O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |