In-Silico Structure Database (LMISSD)

Common Name
PA(12:0/11:2(6E,8E)(5OH,10OH,11Ke))
Systematic Name
1-dodecanoyl-2-(5,10-Dihydroxy-11-oxo-6E,8E-undecadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AD3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
564.269953
Formula
C26H45O11P
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]

String Representations

InChiKey (Click to copy)
FMRUZDMCCGHDFA-GSFBRDRMSA-N
InChi (Click to copy)
InChI=1S/C26H45O11P/c1-2-3-4-5-6-7-8-9-10-17-25(30)35-20-24(21-36-38(32,33)34)37-26(31)18-13-16-22(28)14-11-12-15-23(29)19-27/h11-12,14-15,19,22-24,28-29H,2-10,13,16-18,20-21H2,1H3,(H2,32,33,34)/b14-11+,15-12+/t22?,23?,24-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCC(O)/C=C/C=C/C(O)C=O)=O)COC(CCCCCCCCCCC)=O

References

Other Databases