In-Silico Structure Database (LMISSD)

Common Name
PA(O-20:1(9Z)/18:2(6Z,9Z))
Systematic Name
1-(9Z-eicosenyl)-2-(6Z,9Z-octadecadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP10029AX1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
712.540693
Formula
C41H77O7P
Predict MS/MS spectrum (Neg. Mode)
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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]
1-alkyl,2-acylglycerophosphates [GP1002]

String Representations

InChiKey (Click to copy)
BFNJBCLJJJWINJ-UAKULZTJSA-N
InChi (Click to copy)
InChI=1S/C41H77O7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-46-38-40(39-47-49(43,44)45)48-41(42)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,20-22,26,28,40H,3-17,19,23-25,27,29-39H2,1-2H3,(H2,43,44,45)/b21-20-,22-18-,28-26-/t40-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCC

References

Other Databases