In-Silico Structure Database (LMISSD)

Common Name
PA(20:0/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-eicosanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphate
LM ID
LMGP10019CKJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
778.551258
Formula


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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]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]

String Representations

InChiKey (Click to copy)
QOGGHOSCYGMVDS-PDWSENHMSA-N
InChi (Click to copy)
InChI=1S/C45H79O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(47)53-43(42-52-54(48,49)50)41-51-44(46)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,34,36,43H,3-10,12,14-16,18,20-21,23,25-27,29,31-33,35,37-42H2,1-2H3,(H2,48,49,50)/b13-11-,19-17-,24-22-,30-28-,36-34-/t43-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCC)=O

References

Other Databases