In-Silico Structure Database (LMISSD)

Common Name
PA(13:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-tridecanoyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phosphate
LM ID
LMGP10019AIY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
710.488658
Formula
C40H71O8P
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]
Diacylglycerophosphates [GP1001]

String Representations

InChiKey (Click to copy)
ULKNDPDLKDAKNQ-GLPKTDJJSA-N
InChi (Click to copy)
InChI=1S/C40H71O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-40(42)48-38(37-47-49(43,44)45)36-46-39(41)34-32-30-28-26-14-12-10-8-6-4-2/h17-18,20-21,23-24,27,29,38H,3-16,19,22,25-26,28,30-37H2,1-2H3,(H2,43,44,45)/b18-17-,21-20-,24-23-,29-27-/t38-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCCCCCCCCC)=O

References

Other Databases