In-Silico Structure Database (LMISSD)

Common Name
PE(14:0/7:1(5E)(4OH,7OH,7Ke))
Systematic Name
1-tetradecanoyl-2-(4-hydroxy-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AJG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
581.296502
Formula
C26H48NO11P
Download as...
MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]

String Representations

InChiKey (Click to copy)
HMHQPTMPDTVFOL-DRWVHALZSA-N
InChi (Click to copy)
InChI=1S/C26H48NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-25(31)35-20-23(21-37-39(33,34)36-19-18-27)38-26(32)17-15-22(28)14-16-24(29)30/h14,16,22-23,28H,2-13,15,17-21,27H2,1H3,(H,29,30)(H,33,34)/b16-14+/t22?,23-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCCCCCC)=O

References

Other Databases