In-Silico Structure Database (LMISSD)

Common Name
PE(14:0/8:1(6E)(5OH,8OH,8Ke))
Systematic Name
1-tetradecanoyl-2-(5-hydroxy-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AJM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
595.312152
Formula
C27H50NO11P
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)
POQPVPJZGGWZNH-YYNXROBGSA-N
InChi (Click to copy)
InChI=1S/C27H50NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-15-26(32)36-21-24(22-38-40(34,35)37-20-19-28)39-27(33)16-13-14-23(29)17-18-25(30)31/h17-18,23-24,29H,2-16,19-22,28H2,1H3,(H,30,31)(H,34,35)/b18-17+/t23?,24-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCCCCCC)=O

References

Other Databases