In-Silico Structure Database (LMISSD)
Common Name
PGP(O-16:0/26:2(5Z,9Z))
Systematic Name
1-hexadecyl-2-(5Z,9Z-hexacosadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AGT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
924.622056
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
ZZNXXYSJNMBPSS-VEHRFWJLSA-N
InChi (Click to copy)
InChI=1S/C48H94O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-48(50)60-47(45-59-62(54,55)58-43-46(49)42-57-61(51,52)53)44-56-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2/h26-27,32,34,46-47,49H,3-25,28-31,33,35-45H2,1-2H3,(H,54,55)(H2,51,52,53)/b27-26-,34-32-/t46-,47+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCCCCCCCC