In-Silico Structure Database (LMISSD)
Common Name
PGP(O-20:1(11Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(11Z-eicosenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AWE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
890.543806
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
ZOOFTGDSTZSFPC-SGIYWCEHSA-N
InChi (Click to copy)
InChI=1S/C46H84O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-54-42-45(43-57-60(52,53)56-41-44(47)40-55-59(49,50)51)58-46(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h8,10,14,16-17,19-20,22,26,28,44-45,47H,3-7,9,11-13,15,18,21,23-25,27,29-43H2,1-2H3,(H,52,53)(H2,49,50,51)/b10-8+,16-14+,19-17-,22-20+,28-26+/t44-,45+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCC/C=C\CCCCCCCC