In-Silico Structure Database (LMISSD)

O H O O OH P HO O O
Common Name
PA(O-16:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-(11Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphate
LM ID
LMGP10029AIR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
706.493743
Formula
C41H71O7P
Predict MS/MS spectrum (Neg. Mode)
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
1-alkyl,2-acylglycerophosphates [GP1002]

String Representations

InChiKey (Click to copy)
HGAWPSVZRFTLPY-VUUCVTPGSA-N
InChi (Click to copy)
InChI=1S/C41H71O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-41(42)48-40(39-47-49(43,44)45)38-46-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h10-13,17,19,21-22,24,26,30,32,40H,3-9,14-16,18,20,23,25,27-29,31,33-39H2,1-2H3,(H2,43,44,45)/b12-10-,13-11-,19-17-,22-21-,26-24-,32-30-/t40-/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)COCCCCCCCCCC/C=C\CCCC

References

Other Databases