In-Silico Structure Database (LMISSD)
Common Name
PGP(O-16:1(9Z)/18:3(9Z,12Z,15Z))
Systematic Name
1-(9Z-hexadecenyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AKD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
808.465556
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
PJZTWOKCYJMGBE-PKUGACGXSA-N
InChi (Click to copy)
InChI=1S/C40H74O12P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-40(42)52-39(37-51-54(46,47)50-35-38(41)34-49-53(43,44)45)36-48-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,38-39,41H,3-4,6,8-10,12,15,18,20-37H2,1-2H3,(H,46,47)(H2,43,44,45)/b7-5-,13-11-,16-14-,19-17-/t38-,39+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCC/C=C\CCCCCC