In-Silico Structure Database (LMISSD)
Common Name
PA(33:0/20:4(5Z,8Z,11Z,13E)(15Ke))
Systematic Name
1-tritriacontanoyl-2-(15-Oxo-ETE)-sn-glycero-3-phosphate
LM ID
LMGP20079EAN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
948.718323
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
CQQFACCAPKLZOG-RJZNCIDRSA-N
InChi (Click to copy)
InChI=1S/C56H101O9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-35-38-41-45-49-55(58)63-51-54(52-64-66(60,61)62)65-56(59)50-46-42-39-36-33-30-31-34-37-40-44-48-53(57)47-43-6-4-2/h30-31,36-37,39-40,44,48,54H,3-29,32-35,38,41-43,45-47,49-52H2,1-2H3,(H2,60,61,62)/b31-30-,39-36-,40-37-,48-44+/t54-/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(=O)CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O