In-Silico Structure Database (LMISSD)
Common Name
PG(18:3(6Z,9Z,12Z)/30:0)
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl)-2-triacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04019B9H
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
940.713238
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
Diacylglycerophosphoglycerols [GP0401]
String Representations
InChiKey (Click to copy)
HXDUPWKHZMLEAV-ADKMYIHVSA-N
InChi (Click to copy)
InChI=1S/C54H101O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-54(58)64-52(50-63-65(59,60)62-48-51(56)47-55)49-61-53(57)45-43-41-39-37-35-33-31-18-16-14-12-10-8-6-4-2/h12,14,18,31,35,37,51-52,55-56H,3-11,13,15-17,19-30,32-34,36,38-50H2,1-2H3,(H,59,60)/b14-12-,31-18-,37-35-/t51-,52+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)O