In-Silico Structure Database (LMISSD)
Common Name
PA(38:0/29:0)
Systematic Name
1-octatriacontanoyl-2-nonacosanoyl-sn-glycero-3-phosphate
LM ID
LMGP10019FI1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1139.020758
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]
String Representations
InChiKey (Click to copy)
VABRNPJQZXSPPU-GMHPVODTSA-N
InChi (Click to copy)
InChI=1S/C70H139O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-58-60-62-64-69(71)76-66-68(67-77-79(73,74)75)78-70(72)65-63-61-59-57-55-53-51-49-47-45-43-40-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h68H,3-67H2,1-2H3,(H2,73,74,75)/t68-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O