In-Silico Structure Database (LMISSD)
Common Name
PGP(17:2(9Z,12Z)/18:1(4E))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(4E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019A4S
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
838.476121
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
SNXVUFOOIGSJRF-FNJHNNCXSA-N
InChi (Click to copy)
InChI=1S/C41H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)54-39(37-53-56(48,49)52-35-38(42)34-51-55(45,46)47)36-50-40(43)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,16,18,27,29,38-39,42H,3-9,11,13-15,17,19-26,28,30-37H2,1-2H3,(H,48,49)(H2,45,46,47)/b12-10-,18-16-,29-27+/t38-,39+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CC/C=C/CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O)(=O)O