In-Silico Structure Database (LMISSD)
Common Name
LPGP(22:6(4Z,7Z,10Z,12E,16Z,19Z)/0:0)
Systematic Name
1-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05059ABW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
636.246456
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Monoacylglycerophosphoglycerophosphates [GP0505]
String Representations
InChiKey (Click to copy)
JHUCIJJFTDFYLD-ILPMTKJZSA-N
InChi (Click to copy)
InChI=1S/C28H46O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)37-22-26(29)24-39-42(35,36)40-25-27(30)23-38-41(32,33)34/h3-4,6-7,10-13,15-16,18-19,26-27,29-30H,2,5,8-9,14,17,20-25H2,1H3,(H,35,36)(H2,32,33,34)/b4-3-,7-6-,11-10+,13-12-,16-15-,19-18-/t26-,27+/m1/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(O)COC(CC/C=CC/C=CC/C=CC=CCC/C=CC/C=CCC)=O)(=O)O