In-Silico Structure Database (LMISSD)

Common Name
PE(15:1(9Z)/7:1(5E)(4Ke,7OH,7Ke))
Systematic Name
1-(9Z-pentadecenoyl)-2-(4-keto-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AO2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
591.280852
Formula
C27H46NO11P
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)
OGWHDOSWIPUABZ-NBQUUOTGSA-N
InChi (Click to copy)
InChI=1S/C27H46NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26(32)36-21-24(22-38-40(34,35)37-20-19-28)39-27(33)18-16-23(29)15-17-25(30)31/h6-7,15,17,24H,2-5,8-14,16,18-22,28H2,1H3,(H,30,31)(H,34,35)/b7-6-,17-15+/t24-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC(=O)/C=C/C(=O)O)=O)COC(CCCCCCC/C=C\CCCCC)=O

References

Other Databases