In-Silico Structure Database (LMISSD)

Common Name
PA(10:0/20:4(5Z,8Z,10E,14Z)(12Ke))
Systematic Name
1-decanoyl-2-(12-Oxo-ETE)-sn-glycero-3-phosphate
LM ID
LMGP20079AA1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
626.358373
Formula
C33H55O9P
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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)
PFEDQPOFVOIVGW-KCNNAXIZSA-N
InChi (Click to copy)
InChI=1S/C33H55O9P/c1-3-5-7-9-13-18-22-26-32(35)40-28-31(29-41-43(37,38)39)42-33(36)27-23-19-15-12-11-14-17-21-25-30(34)24-20-16-10-8-6-4-2/h12,14-17,20-21,25,31H,3-11,13,18-19,22-24,26-29H2,1-2H3,(H2,37,38,39)/b15-12-,17-14-,20-16-,25-21+/t31-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC/C=C\C/C=C\C=C\C(=O)C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O

References

Other Databases