In-Silico Structure Database (LMISSD)
Common Name
PA(20:3(8Z,11Z,14Z)/38:0)
Systematic Name
1-(8Z,11Z,14Z-eicosatrienoyl)-2-octatriacontanoyl-sn-glycero-3-phosphate
LM ID
LMGP10019C3O
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1006.832958
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]
String Representations
InChiKey (Click to copy)
VPOCGQYGZBSURB-FZRVDFAXSA-N
InChi (Click to copy)
InChI=1S/C61H115O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-61(63)69-59(58-68-70(64,65)66)57-67-60(62)55-53-51-49-47-45-43-41-39-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,41,43,59H,3-11,13,15-17,19,21-40,42,44-58H2,1-2H3,(H2,64,65,66)/b14-12-,20-18-,43-41-/t59-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O