In-Silico Structure Database (LMISSD)
Common Name
PA(P-20:0/22:6(4Z,7Z,10Z,14E,16Z,19Z)(13OH))
Systematic Name
1-(1Z-eicosenyl)-2-(13-HDoHE)-sn-glycero-3-phosphate
LM ID
LMGP20079FTS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
776.535608
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
ODUSOAUWCUTMCI-CCGOENNQSA-N
InChi (Click to copy)
InChI=1S/C45H77O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-24-28-32-36-40-51-41-44(42-52-54(48,49)50)53-45(47)39-35-31-27-23-21-22-26-30-34-38-43(46)37-33-29-25-10-8-6-4-2/h6,8,21-22,25,27,29-31,33-34,36-37,40,43-44,46H,3-5,7,9-20,23-24,26,28,32,35,38-39,41-42H2,1-2H3,(H2,48,49,50)/b8-6-,22-21-,29-25-,31-27-,34-30-,37-33+,40-36-/t43?,44-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CC/C=C\C/C=C\C/C=C\CC(O)/C=C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCCCCCCCCCCC