In-Silico Structure Database (LMISSD)
Common Name
PA(P-16:1(11Z)/31:0)
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-hentriacontanoyl-sn-glycero-3-phosphate
LM ID
LMGP10039AEN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
840.697193
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
String Representations
InChiKey (Click to copy)
QHGFAEZLJLBYME-HLTFTWSGSA-N
InChi (Click to copy)
InChI=1S/C50H97O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-50(51)57-49(48-56-58(52,53)54)47-55-46-44-42-40-38-36-34-18-16-14-12-10-8-6-4-2/h10,12,44,46,49H,3-9,11,13-43,45,47-48H2,1-2H3,(H2,52,53,54)/b12-10-,46-44-/t49-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC