In-Silico Structure Database (LMISSD)
Common Name
PA(22:5(7Z,10Z,13Z,16Z,19Z)/33:0)
Systematic Name
1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-tritriacontanoyl-sn-glycero-3-phosphate
LM ID
LMGP10019DZT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
960.754708
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]
String Representations
InChiKey (Click to copy)
MPUIXWWPWNMJQU-BPGDZKMJSA-N
InChi (Click to copy)
InChI=1S/C58H105O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-49-51-53-58(60)66-56(55-65-67(61,62)63)54-64-57(59)52-50-48-46-44-42-40-38-36-34-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,34,36,40,42,56H,3-5,7,9-11,13,15-17,19,21-33,35,37-39,41,43-55H2,1-2H3,(H2,61,62,63)/b8-6-,14-12-,20-18-,36-34-,42-40-/t56-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O